2-(4-chlorophenyl)-...

2-(4-chlorophenyl)-3-phenylbutanediamide(CAS No. 5468-17-7)

2-(4-chlorophenyl)-3-phenylbutanediamide(CAS No. 5468-17-7)

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2-(4-chlorophenyl)-3-phenyl-butanediamide 5468-17-7 98%

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  • Appearance:Solid
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Details:

【Name】
2-(4-chlorophenyl)-3-phenylbutanediamide
【Iupac name】
2-(4-chlorophenyl)-3-phenylbutanediamide
【CAS Registry number】
5468-17-7
【Synonyms】
2-(4-chlorophenyl)-3-phenylbutanediamide
5468-17-7
NSC25369
AC1L5JJT
AC1Q3NB4
AR-1C7718
NSC-25369
【Molecular Formula】
C16H15ClN2O2 (Products with the same molecular formula)
【Molecular Weight】
302.7555
【Inchi】
InChI=1/C16H15ClN2O2/c17-12-8-6-11(7-9-12)14(16(19)21)13(15(18)20)10-4-2-1-3-5-10/h1-9,13-14H,(H2,18,20)(H2,19,21)
【Canonical SMILES】
C1=CC=C(C=C1)C(C(C2=CC=C(C=C2)Cl)C(=O)N)C(=O)N
【MOL File】
5468-17-7.mol
Chemical and Physical Properties
【Density】
1.31g/cm3
【Boiling Point】
556.4°C at 760 mmHg
【Refractive Index】
1.624
【Flash Point】
290.3°C
【Computed Properties】
Molecular Weight:302.7555 [g/mol]
Molecular Formula:C16H15ClN2O2
XLogP3-AA:1.9
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:5
Tautomer Count:9
Exact Mass:302.082205
MonoIsotopic Mass:302.082205
Topological Polar Surface Area:86.2
Heavy Atom Count:21
Formal Charge:0
Complexity:375
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:2
Feature 3D Ring Count:2
Effective Rotor Count:5
Conformer Sampling RMSD:0.8
CID Conformer Count:22

 

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