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

C16H17ClN2O — CID 104854341

IUPAC3-[(4-chloro-2-methylphenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NCc2ccc(Cl)cc2C)c1
InChIInChI=1S/C16H17ClN2O/c1-11-8-14(17)7-6-13(11)10-19-15-5-3-4-12(9-15)16(20)18-2/h3-9,19H,10H2,1-2H3,(H,18,20)
InChIKeyLWUORCFMFLEULF-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.62
Rot. Bonds4

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

3-[(4-chloro-2-methylphenyl)methylamino]-N-methylbenzamide (PubChem CID 104854341) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 3-[(4-chloro-2-methylphenyl)methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(4-chloro-2-methylphenyl)methylamino]-N-methylbenzamide
PubChem CID104854341
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name3-[(4-chloro-2-methylphenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NCc2ccc(Cl)cc2C)c1
InChIInChI=1S/C16H17ClN2O/c1-11-8-14(17)7-6-13(11)10-19-15-5-3-4-12(9-15)16(20)18-2/h3-9,19H,10H2,1-2H3,(H,18,20)
InChIKeyLWUORCFMFLEULF-UHFFFAOYSA-N
XLogP3.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-[(2-methylphenyl)methylamino]benzamide
CID 28650229
methyl N-[3-[(4-chloro-2-methylphenyl)methylamino]phenyl]carbamate
CID 104854030
3-[(4-chloro-2-methylphenyl)methylamino]-N,2-dimethylbenzamide
CID 104853999
3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-methylaniline
CID 114075337
N-methyl-3-(pyridin-4-ylmethylamino)benzamide
CID 28650269
methyl 3-[(2,4-dichlorophenyl)methylamino]benzoate
CID 43217500
N-[(4-chloro-2-methylphenyl)methyl]-3-(methylsulfamoyl)benzamide
CID 171794388
3-[(3-chloro-2,2-dimethylpropanoyl)amino]-N-methylbenzamide
CID 63678627
2-chloro-5-[(2,4-dimethylphenyl)methylamino]-N-methylbenzamide
CID 60936552
N-[(4-chloro-2-methylphenyl)methyl]-3-(methoxymethyl)aniline
CID 104854025
3-[(3-bromo-4-chlorophenyl)methylamino]-N-methylbenzamide
CID 83235615
3-[3-(2,4-dimethylphenyl)propanoylamino]-N-methylbenzamide
CID 24620392

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-methylphenyl)methylamino]-N-methylbenzamide?
The IUPAC name of 3-[(4-chloro-2-methylphenyl)methylamino]-N-methylbenzamide (CID 104854341) is 3-[(4-chloro-2-methylphenyl)methylamino]-N-methylbenzamide.
What is the SMILES notation for 3-[(4-chloro-2-methylphenyl)methylamino]-N-methylbenzamide?
The canonical SMILES for 3-[(4-chloro-2-methylphenyl)methylamino]-N-methylbenzamide is CNC(=O)c1cccc(NCc2ccc(Cl)cc2C)c1.
What is the InChIKey of 3-[(4-chloro-2-methylphenyl)methylamino]-N-methylbenzamide?
The InChIKey is LWUORCFMFLEULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11-8-14(17)7-6-13(11)10-19-15-5-3-4-12(9-15)16(20)18-2/h3-9,19H,10H2,1-2H3,(H,18,20).
What are the key properties of 3-[(4-chloro-2-methylphenyl)methylamino]-N-methylbenzamide?
3-[(4-chloro-2-methylphenyl)methylamino]-N-methylbenzamide has a molecular weight of 288.78 g/mol, XLogP of 3.62, 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-methylbenzamide is sourced from PubChem (CID 104854341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).