2-chloro-5-[(2,4-dimethylphenyl)methylamino]-N-methylbenzamide

C17H19ClN2O — CID 60936552

IUPAC2-chloro-5-[(2,4-dimethylphenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1cc(NCc2ccc(C)cc2C)ccc1Cl
InChIInChI=1S/C17H19ClN2O/c1-11-4-5-13(12(2)8-11)10-20-14-6-7-16(18)15(9-14)17(21)19-3/h4-9,20H,10H2,1-3H3,(H,19,21)
InChIKeyWNHVYMQLCXHXEB-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.93
Rot. Bonds4

About 2-chloro-5-[(2,4-dimethylphenyl)methylamino]-N-methylbenzamide

2-chloro-5-[(2,4-dimethylphenyl)methylamino]-N-methylbenzamide (PubChem CID 60936552) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-chloro-5-[(2,4-dimethylphenyl)methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[(2,4-dimethylphenyl)methylamino]-N-methylbenzamide
PubChem CID60936552
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-chloro-5-[(2,4-dimethylphenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1cc(NCc2ccc(C)cc2C)ccc1Cl
InChIInChI=1S/C17H19ClN2O/c1-11-4-5-13(12(2)8-11)10-20-14-6-7-16(18)15(9-14)17(21)19-3/h4-9,20H,10H2,1-3H3,(H,19,21)
InChIKeyWNHVYMQLCXHXEB-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

2-chloro-5-[(4-fluoro-2-methylphenyl)methylamino]-N-methylbenzamide
CID 62134778
N-[2-chloro-4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide
CID 43690141
2-chloro-5-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-methylbenzamide
CID 115951601
2-chloro-N-methyl-5-(pyridin-4-ylmethylamino)benzamide
CID 54864534
2-chloro-5-[(2,4-dimethylphenyl)methylamino]benzonitrile
CID 43686808
2-chloro-5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N-methylbenzamide
CID 64593149
4-[(2,4-dimethylphenyl)methylamino]-N,3-dimethylbenzamide
CID 43740066
2-chloro-5-[(2-chloro-6-fluorophenyl)methylamino]-N-methylbenzamide
CID 60934687
2-chloro-N-methyl-5-(1H-pyrazol-5-ylmethylamino)benzamide
CID 54865163
3-[(4-chloro-2-methylphenyl)methylamino]-N-methylbenzamide
CID 104854341
2-chloro-5-[(1-ethylpyrrol-2-yl)methylamino]-N-methylbenzamide
CID 66411778
2-chloro-5-[(2-methoxy-5-methylphenyl)methylamino]benzoic acid
CID 43736330

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,4-dimethylphenyl)methylamino]-N-methylbenzamide?
The IUPAC name of 2-chloro-5-[(2,4-dimethylphenyl)methylamino]-N-methylbenzamide (CID 60936552) is 2-chloro-5-[(2,4-dimethylphenyl)methylamino]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-5-[(2,4-dimethylphenyl)methylamino]-N-methylbenzamide?
The canonical SMILES for 2-chloro-5-[(2,4-dimethylphenyl)methylamino]-N-methylbenzamide is CNC(=O)c1cc(NCc2ccc(C)cc2C)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(2,4-dimethylphenyl)methylamino]-N-methylbenzamide?
The InChIKey is WNHVYMQLCXHXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-11-4-5-13(12(2)8-11)10-20-14-6-7-16(18)15(9-14)17(21)19-3/h4-9,20H,10H2,1-3H3,(H,19,21).
What are the key properties of 2-chloro-5-[(2,4-dimethylphenyl)methylamino]-N-methylbenzamide?
2-chloro-5-[(2,4-dimethylphenyl)methylamino]-N-methylbenzamide 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 2-chloro-5-[(2,4-dimethylphenyl)methylamino]-N-methylbenzamide is sourced from PubChem (CID 60936552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).