2-[(2-aminophenyl)methyl-methylamino]-4-chlorobenzamide

C15H16ClN3O — CID 63083482

IUPAC2-[(2-aminophenyl)methyl-methylamino]-4-chlorobenzamide
SMILESCN(Cc1ccccc1N)c1cc(Cl)ccc1C(N)=O
InChIInChI=1S/C15H16ClN3O/c1-19(9-10-4-2-3-5-13(10)17)14-8-11(16)6-7-12(14)15(18)20/h2-8H,9,17H2,1H3,(H2,18,20)
InChIKeyUPHHPHNPTKSMJU-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.66
Rot. Bonds4

About 2-[(2-aminophenyl)methyl-methylamino]-4-chlorobenzamide

2-[(2-aminophenyl)methyl-methylamino]-4-chlorobenzamide (PubChem CID 63083482) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl-methylamino]-4-chlorobenzamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl-methylamino]-4-chlorobenzamide
PubChem CID63083482
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name2-[(2-aminophenyl)methyl-methylamino]-4-chlorobenzamide
SMILESCN(Cc1ccccc1N)c1cc(Cl)ccc1C(N)=O
InChIInChI=1S/C15H16ClN3O/c1-19(9-10-4-2-3-5-13(10)17)14-8-11(16)6-7-12(14)15(18)20/h2-8H,9,17H2,1H3,(H2,18,20)
InChIKeyUPHHPHNPTKSMJU-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

2-[(2-aminophenyl)methyl-methylamino]-5-chlorobenzamide
CID 62494381
4-[(2-aminophenyl)methyl-methylamino]-3-fluorobenzamide
CID 60869436
N-[(2-aminophenyl)methyl]-2,4-dichloro-N-ethylbenzamide
CID 43459183
N-[(2-aminophenyl)methyl]-2-bromo-4-chloro-N-methylbenzamide
CID 107986287
4-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 76984880
2-[(2-bromophenyl)methyl-methylamino]-4-chloro-N'-hydroxybenzenecarboximidamide
CID 76984935
2-[(5-amino-2-chlorophenyl)methyl-methylamino]-4-methylbenzamide
CID 62308693
2-[(2-aminophenyl)methylamino]-4-chloro-N,N-dimethylbenzamide
CID 66419013
4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 63094373
2-[(2-aminophenyl)methyl-methylamino]-N-(3-chlorophenyl)acetamide
CID 43458599
2-[[(2,5-dichlorophenyl)methyl-methylamino]methyl]aniline
CID 65317637
4-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 43577989

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl-methylamino]-4-chlorobenzamide?
The IUPAC name of 2-[(2-aminophenyl)methyl-methylamino]-4-chlorobenzamide (CID 63083482) is 2-[(2-aminophenyl)methyl-methylamino]-4-chlorobenzamide.
What is the SMILES notation for 2-[(2-aminophenyl)methyl-methylamino]-4-chlorobenzamide?
The canonical SMILES for 2-[(2-aminophenyl)methyl-methylamino]-4-chlorobenzamide is CN(Cc1ccccc1N)c1cc(Cl)ccc1C(N)=O.
What is the InChIKey of 2-[(2-aminophenyl)methyl-methylamino]-4-chlorobenzamide?
The InChIKey is UPHHPHNPTKSMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-19(9-10-4-2-3-5-13(10)17)14-8-11(16)6-7-12(14)15(18)20/h2-8H,9,17H2,1H3,(H2,18,20).
What are the key properties of 2-[(2-aminophenyl)methyl-methylamino]-4-chlorobenzamide?
2-[(2-aminophenyl)methyl-methylamino]-4-chlorobenzamide 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 2-[(2-aminophenyl)methyl-methylamino]-4-chlorobenzamide is sourced from PubChem (CID 63083482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).