3-chloro-N-(4-methylphenyl)benzamide

C14H12ClNO — CID 722375

IUPAC3-chloro-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C14H12ClNO/c1-10-5-7-13(8-6-10)16-14(17)11-3-2-4-12(15)9-11/h2-9H,1H3,(H,16,17)
InChIKeyAJQYSKAABYAZGP-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.90
Rot. Bonds2

About 3-chloro-N-(4-methylphenyl)benzamide

3-chloro-N-(4-methylphenyl)benzamide (PubChem CID 722375) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is 3-chloro-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(4-methylphenyl)benzamide
PubChem CID722375
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC Name3-chloro-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C14H12ClNO/c1-10-5-7-13(8-6-10)16-14(17)11-3-2-4-12(15)9-11/h2-9H,1H3,(H,16,17)
InChIKeyAJQYSKAABYAZGP-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-(3-methylphenyl)benzamide
CID 722373
3-chloro-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide
CID 4674584
3-chloro-N-[4-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22775712
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
3-hydroxy-N-(4-methylphenyl)benzamide
CID 10900357
N-[4-(4-acetylanilino)phenyl]-3-chlorobenzamide
CID 112988228
3-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide
CID 25219116
N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide
CID 22775702
3-chloro-N-(4-iodo-3-methylphenyl)benzamide
CID 1340030
N-[4-(tert-butylcarbamoyl)phenyl]-3-chlorobenzamide
CID 17199504
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
3-chloro-N-pyridin-4-ylbenzamide
CID 849128

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-methylphenyl)benzamide?
The IUPAC name of 3-chloro-N-(4-methylphenyl)benzamide (CID 722375) is 3-chloro-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 3-chloro-N-(4-methylphenyl)benzamide?
The canonical SMILES for 3-chloro-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-(4-methylphenyl)benzamide?
The InChIKey is AJQYSKAABYAZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO/c1-10-5-7-13(8-6-10)16-14(17)11-3-2-4-12(15)9-11/h2-9H,1H3,(H,16,17).
What are the key properties of 3-chloro-N-(4-methylphenyl)benzamide?
3-chloro-N-(4-methylphenyl)benzamide has a molecular weight of 245.71 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 722375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).