2,4-diamino-N-[(4-chlorophenyl)methyl]-N-methylbenzamide

C15H16ClN3O — CID 61118647

IUPAC2,4-diamino-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(N)cc1N
InChIInChI=1S/C15H16ClN3O/c1-19(9-10-2-4-11(16)5-3-10)15(20)13-7-6-12(17)8-14(13)18/h2-8H,9,17-18H2,1H3
InChIKeyLEPMOWJWJFXGML-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.78
Rot. Bonds3

About 2,4-diamino-N-[(4-chlorophenyl)methyl]-N-methylbenzamide

2,4-diamino-N-[(4-chlorophenyl)methyl]-N-methylbenzamide (PubChem CID 61118647) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 2,4-diamino-N-[(4-chlorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2,4-diamino-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
PubChem CID61118647
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name2,4-diamino-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(N)cc1N
InChIInChI=1S/C15H16ClN3O/c1-19(9-10-2-4-11(16)5-3-10)15(20)13-7-6-12(17)8-14(13)18/h2-8H,9,17-18H2,1H3
InChIKeyLEPMOWJWJFXGML-UHFFFAOYSA-N
XLogP2.78
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(4-bromophenyl)methyl]-4-chloro-N-methylbenzamide
CID 61118172
2-amino-4-chloro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 61112358
5-amino-N-[(4-ethylphenyl)methyl]-2-fluoro-N-methylbenzamide
CID 43587026
5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 43510882
2-amino-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 63109740
3-amino-4,5-dichloro-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 61118649
5-amino-2-chloro-N-[(4-cyanophenyl)methyl]-N-methylbenzamide
CID 61107084
N-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide
CID 100542363
4-amino-N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 54978696
5-amino-N-[(4-cyanophenyl)methyl]-2-fluoro-N-methylbenzamide
CID 61105399
2-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzamide
CID 43345854
2-[(4-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399775

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-[(4-chlorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 2,4-diamino-N-[(4-chlorophenyl)methyl]-N-methylbenzamide (CID 61118647) is 2,4-diamino-N-[(4-chlorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2,4-diamino-N-[(4-chlorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 2,4-diamino-N-[(4-chlorophenyl)methyl]-N-methylbenzamide is CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(N)cc1N.
What is the InChIKey of 2,4-diamino-N-[(4-chlorophenyl)methyl]-N-methylbenzamide?
The InChIKey is LEPMOWJWJFXGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-19(9-10-2-4-11(16)5-3-10)15(20)13-7-6-12(17)8-14(13)18/h2-8H,9,17-18H2,1H3.
What are the key properties of 2,4-diamino-N-[(4-chlorophenyl)methyl]-N-methylbenzamide?
2,4-diamino-N-[(4-chlorophenyl)methyl]-N-methylbenzamide has a molecular weight of 289.77 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-[(4-chlorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 61118647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).