3-amino-4-[(4-chlorophenyl)methyl-methylamino]benzamide

C15H16ClN3O — CID 61415166

IUPAC3-amino-4-[(4-chlorophenyl)methyl-methylamino]benzamide
SMILESCN(Cc1ccc(Cl)cc1)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C15H16ClN3O/c1-19(9-10-2-5-12(16)6-3-10)14-7-4-11(15(18)20)8-13(14)17/h2-8H,9,17H2,1H3,(H2,18,20)
InChIKeyVQDKBOQRNJSWMQ-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.66
Rot. Bonds4

About 3-amino-4-[(4-chlorophenyl)methyl-methylamino]benzamide

3-amino-4-[(4-chlorophenyl)methyl-methylamino]benzamide (PubChem CID 61415166) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 3-amino-4-[(4-chlorophenyl)methyl-methylamino]benzamide.

Molecular Properties

Compound Name3-amino-4-[(4-chlorophenyl)methyl-methylamino]benzamide
PubChem CID61415166
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name3-amino-4-[(4-chlorophenyl)methyl-methylamino]benzamide
SMILESCN(Cc1ccc(Cl)cc1)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C15H16ClN3O/c1-19(9-10-2-5-12(16)6-3-10)14-7-4-11(15(18)20)8-13(14)17/h2-8H,9,17H2,1H3,(H2,18,20)
InChIKeyVQDKBOQRNJSWMQ-UHFFFAOYSA-N
XLogP2.66
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.66
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

3-amino-4-[(3-bromophenyl)methyl-methylamino]benzamide
CID 61415810
3-amino-4-[(3-methoxyphenyl)methyl-methylamino]benzamide
CID 61420166
4-amino-3-[(4-fluorophenyl)methyl-methylamino]benzamide
CID 63356230
1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 61414834
3-amino-4-[(5-chloro-2-fluorophenyl)methyl-methylamino]benzoic acid
CID 103046894
5-amino-6-[(4-chlorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81440229
1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N,5-dimethylbenzene-1,2-diamine
CID 103590061
3-amino-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]benzamide
CID 106914247
5-chloro-2-[(4-chlorophenyl)methyl-methylamino]benzoic acid
CID 63513125
4-[(3,4-difluorophenyl)methyl-methylamino]-3-nitrobenzamide
CID 39985138
4-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-3,4-diamine
CID 61357479
3-[[(3-amino-4-pyridinyl)-methylamino]methyl]-4-fluorobenzamide
CID 61358055

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(4-chlorophenyl)methyl-methylamino]benzamide?
The IUPAC name of 3-amino-4-[(4-chlorophenyl)methyl-methylamino]benzamide (CID 61415166) is 3-amino-4-[(4-chlorophenyl)methyl-methylamino]benzamide.
What is the SMILES notation for 3-amino-4-[(4-chlorophenyl)methyl-methylamino]benzamide?
The canonical SMILES for 3-amino-4-[(4-chlorophenyl)methyl-methylamino]benzamide is CN(Cc1ccc(Cl)cc1)c1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-[(4-chlorophenyl)methyl-methylamino]benzamide?
The InChIKey is VQDKBOQRNJSWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-19(9-10-2-5-12(16)6-3-10)14-7-4-11(15(18)20)8-13(14)17/h2-8H,9,17H2,1H3,(H2,18,20).
What are the key properties of 3-amino-4-[(4-chlorophenyl)methyl-methylamino]benzamide?
3-amino-4-[(4-chlorophenyl)methyl-methylamino]benzamide has a molecular weight of 289.77 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(4-chlorophenyl)methyl-methylamino]benzamide is sourced from PubChem (CID 61415166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).