3-[(4-chloro-2-methylphenyl)methylamino]-N,2-dimethylbenzamide

C17H19ClN2O — CID 104853999

IUPAC3-[(4-chloro-2-methylphenyl)methylamino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NCc2ccc(Cl)cc2C)c1C
InChIInChI=1S/C17H19ClN2O/c1-11-9-14(18)8-7-13(11)10-20-16-6-4-5-15(12(16)2)17(21)19-3/h4-9,20H,10H2,1-3H3,(H,19,21)
InChIKeyNHCTXFLUYDYLPZ-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.93
Rot. Bonds4

About 3-[(4-chloro-2-methylphenyl)methylamino]-N,2-dimethylbenzamide

3-[(4-chloro-2-methylphenyl)methylamino]-N,2-dimethylbenzamide (PubChem CID 104853999) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-[(4-chloro-2-methylphenyl)methylamino]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-[(4-chloro-2-methylphenyl)methylamino]-N,2-dimethylbenzamide
PubChem CID104853999
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name3-[(4-chloro-2-methylphenyl)methylamino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NCc2ccc(Cl)cc2C)c1C
InChIInChI=1S/C17H19ClN2O/c1-11-9-14(18)8-7-13(11)10-20-16-6-4-5-15(12(16)2)17(21)19-3/h4-9,20H,10H2,1-3H3,(H,19,21)
InChIKeyNHCTXFLUYDYLPZ-UHFFFAOYSA-N
XLogP3.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-chloro-2-methylphenyl)methylamino]-N-methylbenzamide
CID 104854341
3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]-N,2-dimethylbenzamide
CID 87029357
3-[(3-hydroxyphenyl)methylamino]-N,2-dimethylbenzamide
CID 43734564
3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,2-dimethylbenzamide
CID 102833523
3-[(2,4-dimethylphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 110906218
3-[(5-ethylfuran-2-yl)methylamino]-N,2-dimethylbenzamide
CID 62345277
2-[2-[(4-chloro-2-methylphenyl)methylamino]phenyl]-2-iminoacetaldehyde
CID 143179345
methyl 3-[(4-fluoro-2-methylphenyl)methylamino]-2-methylbenzoate
CID 62134920
N,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 115688065
3-[(3-bromothiophen-2-yl)methylamino]-N,2-dimethylbenzamide
CID 115380075
N,2-dimethyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzamide
CID 62749644
(4-chloro-2-methylphenyl)methylcarbamic acid
CID 68522575

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-methylphenyl)methylamino]-N,2-dimethylbenzamide?
The IUPAC name of 3-[(4-chloro-2-methylphenyl)methylamino]-N,2-dimethylbenzamide (CID 104853999) is 3-[(4-chloro-2-methylphenyl)methylamino]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-[(4-chloro-2-methylphenyl)methylamino]-N,2-dimethylbenzamide?
The canonical SMILES for 3-[(4-chloro-2-methylphenyl)methylamino]-N,2-dimethylbenzamide is CNC(=O)c1cccc(NCc2ccc(Cl)cc2C)c1C.
What is the InChIKey of 3-[(4-chloro-2-methylphenyl)methylamino]-N,2-dimethylbenzamide?
The InChIKey is NHCTXFLUYDYLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-11-9-14(18)8-7-13(11)10-20-16-6-4-5-15(12(16)2)17(21)19-3/h4-9,20H,10H2,1-3H3,(H,19,21).
What are the key properties of 3-[(4-chloro-2-methylphenyl)methylamino]-N,2-dimethylbenzamide?
3-[(4-chloro-2-methylphenyl)methylamino]-N,2-dimethylbenzamide has a molecular weight of 302.81 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2-methylphenyl)methylamino]-N,2-dimethylbenzamide is sourced from PubChem (CID 104853999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).