N-[(4-chlorophenyl)methyl]-3-methylbenzamide

C15H14ClNO — CID 966012

IUPACN-[(4-chlorophenyl)methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H14ClNO/c1-11-3-2-4-13(9-11)15(18)17-10-12-5-7-14(16)8-6-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeySKCBZDMVJQEKIO-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.58
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-3-methylbenzamide

N-[(4-chlorophenyl)methyl]-3-methylbenzamide (PubChem CID 966012) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-methylbenzamide
PubChem CID966012
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC NameN-[(4-chlorophenyl)methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H14ClNO/c1-11-3-2-4-13(9-11)15(18)17-10-12-5-7-14(16)8-6-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeySKCBZDMVJQEKIO-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 107231351
N-[(4-aminophenyl)methyl]-3-methylbenzamide
CID 60891807
N-[2-[[N-[(4-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]-3-methylbenzamide;hydroiodide
CID 111131865
N'-[2-(4-chlorophenyl)acetyl]-3-methylbenzohydrazide
CID 965991
[3-[(4-chlorophenyl)methylcarbamoyl]phenyl]boronic acid
CID 135741409
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8884714
3-[(4-chlorophenyl)methylcarbamoyl]benzenesulfonyl chloride
CID 110823511
N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 959739
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-methylbenzamide
CID 110291494
1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054581
3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 38295590
N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide
CID 2302635

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-methylbenzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-methylbenzamide (CID 966012) is N-[(4-chlorophenyl)methyl]-3-methylbenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-methylbenzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-methylbenzamide is Cc1cccc(C(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-methylbenzamide?
The InChIKey is SKCBZDMVJQEKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c1-11-3-2-4-13(9-11)15(18)17-10-12-5-7-14(16)8-6-12/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-methylbenzamide?
N-[(4-chlorophenyl)methyl]-3-methylbenzamide has a molecular weight of 259.74 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-methylbenzamide is sourced from PubChem (CID 966012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).