N-(4-chloro-2-methylphenyl)-4-phenylbenzamide

C20H16ClNO — CID 19174130

IUPACN-(4-chloro-2-methylphenyl)-4-phenylbenzamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H16ClNO/c1-14-13-18(21)11-12-19(14)22-20(23)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,22,23)
InChIKeyOQOCSNDLSOYOPU-UHFFFAOYSA-N
MW321.81 g/mol
LogP5.57
Rot. Bonds3

About N-(4-chloro-2-methylphenyl)-4-phenylbenzamide

N-(4-chloro-2-methylphenyl)-4-phenylbenzamide (PubChem CID 19174130) has the molecular formula C20H16ClNO and a molecular weight of 321.81 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-4-phenylbenzamide
PubChem CID19174130
Molecular FormulaC20H16ClNO
Molecular Weight321.81 g/mol
Exact Mass321.09
IUPAC NameN-(4-chloro-2-methylphenyl)-4-phenylbenzamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H16ClNO/c1-14-13-18(21)11-12-19(14)22-20(23)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,22,23)
InChIKeyOQOCSNDLSOYOPU-UHFFFAOYSA-N
XLogP5.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.81
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide
CID 1365594
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CID 1189042
4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
CID 27042156
2-benzoyl-N-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenyl]benzamide
CID 23935500
N-(4-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333226
4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049900
N-(4-chloro-2-methylphenyl)-4-sulfamoylbenzamide
CID 26698295
2-chloro-N-[4-[(4-chlorobenzoyl)amino]-2-methylphenyl]benzamide
CID 3135769
N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide
CID 100708233
3,5-diamino-N-(4-chloro-2-methylphenyl)benzamide
CID 61093328
N-(4-chloro-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 18148116
N-(4-chloro-2-methylphenyl)-3-fluorobenzamide
CID 2671206

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-4-phenylbenzamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-4-phenylbenzamide (CID 19174130) is N-(4-chloro-2-methylphenyl)-4-phenylbenzamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-4-phenylbenzamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-4-phenylbenzamide is Cc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-4-phenylbenzamide?
The InChIKey is OQOCSNDLSOYOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO/c1-14-13-18(21)11-12-19(14)22-20(23)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,22,23).
What are the key properties of N-(4-chloro-2-methylphenyl)-4-phenylbenzamide?
N-(4-chloro-2-methylphenyl)-4-phenylbenzamide has a molecular weight of 321.81 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-4-phenylbenzamide is sourced from PubChem (CID 19174130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).