2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide

C16H16ClNO — CID 99835975

IUPAC2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2ccc(C)cc2Cl)c1
InChIInChI=1S/C16H16ClNO/c1-11-4-3-5-13(8-11)10-18-16(19)14-7-6-12(2)9-15(14)17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyRZDLHOCQXXBOAZ-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.89
Rot. Bonds3

About 2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide

2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 99835975) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide
PubChem CID99835975
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2ccc(C)cc2Cl)c1
InChIInChI=1S/C16H16ClNO/c1-11-4-3-5-13(8-11)10-18-16(19)14-7-6-12(2)9-15(14)17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyRZDLHOCQXXBOAZ-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide
CID 28748811
2,6-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 159197280
2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
CID 114343999
2-bromo-5-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80979004
3-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide
CID 112575105
3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 38295590
4-amino-3,5-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 82793892
N-[(2-aminophenyl)methyl]-2-chloro-4-methylbenzamide
CID 106860403
1-(2-chloro-4-methylphenyl)-2-(3-methylphenyl)ethanone
CID 106861502
2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80718612
N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-4-methylbenzamide
CID 106862102
5-chloro-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 110850809

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide (CID 99835975) is 2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide is Cc1cccc(CNC(=O)c2ccc(C)cc2Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is RZDLHOCQXXBOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-11-4-3-5-13(8-11)10-18-16(19)14-7-6-12(2)9-15(14)17/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide?
2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide has a molecular weight of 273.76 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 99835975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).