N-(3-chloro-4-cyanophenyl)-4-phenylbenzamide

C20H13ClN2O — CID 2113579

IUPACN-(3-chloro-4-cyanophenyl)-4-phenylbenzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1Cl
InChIInChI=1S/C20H13ClN2O/c21-19-12-18(11-10-17(19)13-22)23-20(24)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-12H,(H,23,24)
InChIKeyNOZXACRHLBNLCT-UHFFFAOYSA-N
MW332.79 g/mol
LogP5.13
Rot. Bonds3

About N-(3-chloro-4-cyanophenyl)-4-phenylbenzamide

N-(3-chloro-4-cyanophenyl)-4-phenylbenzamide (PubChem CID 2113579) has the molecular formula C20H13ClN2O and a molecular weight of 332.79 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-4-phenylbenzamide
PubChem CID2113579
Molecular FormulaC20H13ClN2O
Molecular Weight332.79 g/mol
Exact Mass332.07
IUPAC NameN-(3-chloro-4-cyanophenyl)-4-phenylbenzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1Cl
InChIInChI=1S/C20H13ClN2O/c21-19-12-18(11-10-17(19)13-22)23-20(24)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-12H,(H,23,24)
InChIKeyNOZXACRHLBNLCT-UHFFFAOYSA-N
XLogP5.13
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.79
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[(4-phenylbenzoyl)amino]benzoic acid
CID 28668403
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7703794
N-(3-chloro-4-cyanophenyl)furan-3-carboxamide
CID 27033866
4-amino-N-(3-chloro-4-cyanophenyl)-3-fluorobenzamide
CID 62679836
N-(3-chloro-4-cyanophenyl)-2-phenoxybenzamide
CID 1150855
(2R)-2-amino-N-(3-chloro-4-cyanophenyl)-2-phenylacetamide
CID 61149344
4-chloro-N-(3-chloro-4-cyanophenyl)-3-methylsulfonylbenzamide
CID 26699911
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
N-naphthalen-2-yl-4-phenylbenzamide
CID 1228216
5-[(3-chloro-4-cyanophenyl)carbamoyl]furan-3-carboxylic acid
CID 104607066
4-(azepan-1-ylsulfonyl)-N-(3-chloro-4-cyanophenyl)benzamide
CID 8923382
N-(3-chloro-4-cyanophenyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 9456205

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-4-phenylbenzamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-4-phenylbenzamide (CID 2113579) is N-(3-chloro-4-cyanophenyl)-4-phenylbenzamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-4-phenylbenzamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-4-phenylbenzamide is N#Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-4-phenylbenzamide?
The InChIKey is NOZXACRHLBNLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O/c21-19-12-18(11-10-17(19)13-22)23-20(24)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-12H,(H,23,24).
What are the key properties of N-(3-chloro-4-cyanophenyl)-4-phenylbenzamide?
N-(3-chloro-4-cyanophenyl)-4-phenylbenzamide has a molecular weight of 332.79 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-4-phenylbenzamide is sourced from PubChem (CID 2113579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).