3-(4-chloro-2,6-dimethylphenyl)-N-methylbenzamide

C16H16ClNO — CID 69438870

IUPAC3-(4-chloro-2,6-dimethylphenyl)-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2c(C)cc(Cl)cc2C)c1
InChIInChI=1S/C16H16ClNO/c1-10-7-14(17)8-11(2)15(10)12-5-4-6-13(9-12)16(19)18-3/h4-9H,1-3H3,(H,18,19)
InChIKeyZXWSRPYBZKBMQE-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.98
Rot. Bonds2

About 3-(4-chloro-2,6-dimethylphenyl)-N-methylbenzamide

3-(4-chloro-2,6-dimethylphenyl)-N-methylbenzamide (PubChem CID 69438870) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 3-(4-chloro-2,6-dimethylphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-(4-chloro-2,6-dimethylphenyl)-N-methylbenzamide
PubChem CID69438870
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name3-(4-chloro-2,6-dimethylphenyl)-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2c(C)cc(Cl)cc2C)c1
InChIInChI=1S/C16H16ClNO/c1-10-7-14(17)8-11(2)15(10)12-5-4-6-13(9-12)16(19)18-3/h4-9H,1-3H3,(H,18,19)
InChIKeyZXWSRPYBZKBMQE-UHFFFAOYSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chloro-6-fluoro-3-methylphenyl)-N-methylbenzamide
CID 86048120
ethane;2-methyl-5-[3-(methylcarbamoyl)phenyl]benzamide
CID 143405821
3-[(4-chloro-2-methylphenyl)methylamino]-N-methylbenzamide
CID 104854341
3-chlorobenzoyl chloride;N,3-dimethylbenzamide
CID 159987472
2-[3-(2,6-dimethylphenyl)phenyl]-3-hydroxy-5-methyl-N-[3-(methylcarbamoyl)phenyl]imidazole-4-carboxamide
CID 167525301
3-[4-(hydroxymethyl)phenyl]-N-methylbenzamide
CID 172740220
N-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 70899033
N-methyl-3-(6-oxo-1H-pyridin-2-yl)benzamide
CID 53217915
3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylbenzamide
CID 43100379
3-(3-hydroxy-2-pyridinyl)-N-methylbenzamide
CID 53217910
N-methyl-3-(2-propan-2-ylphenyl)benzamide
CID 142590167
3-hydroxy-4-[3-(methylcarbamoyl)phenyl]benzoic acid
CID 53227053

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2,6-dimethylphenyl)-N-methylbenzamide?
The IUPAC name of 3-(4-chloro-2,6-dimethylphenyl)-N-methylbenzamide (CID 69438870) is 3-(4-chloro-2,6-dimethylphenyl)-N-methylbenzamide.
What is the SMILES notation for 3-(4-chloro-2,6-dimethylphenyl)-N-methylbenzamide?
The canonical SMILES for 3-(4-chloro-2,6-dimethylphenyl)-N-methylbenzamide is CNC(=O)c1cccc(-c2c(C)cc(Cl)cc2C)c1.
What is the InChIKey of 3-(4-chloro-2,6-dimethylphenyl)-N-methylbenzamide?
The InChIKey is ZXWSRPYBZKBMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-10-7-14(17)8-11(2)15(10)12-5-4-6-13(9-12)16(19)18-3/h4-9H,1-3H3,(H,18,19).
What are the key properties of 3-(4-chloro-2,6-dimethylphenyl)-N-methylbenzamide?
3-(4-chloro-2,6-dimethylphenyl)-N-methylbenzamide has a molecular weight of 273.76 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2,6-dimethylphenyl)-N-methylbenzamide is sourced from PubChem (CID 69438870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).