2-[[4-(aminomethyl)phenyl]methylamino]-6-chlorobenzamide

C15H16ClN3O — CID 81089935

IUPAC2-[[4-(aminomethyl)phenyl]methylamino]-6-chlorobenzamide
SMILESNCc1ccc(CNc2cccc(Cl)c2C(N)=O)cc1
InChIInChI=1S/C15H16ClN3O/c16-12-2-1-3-13(14(12)15(18)20)19-9-11-6-4-10(8-17)5-7-11/h1-7,19H,8-9,17H2,(H2,18,20)
InChIKeyBURXKDVPIHJTNP-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.51
Rot. Bonds5

About 2-[[4-(aminomethyl)phenyl]methylamino]-6-chlorobenzamide

2-[[4-(aminomethyl)phenyl]methylamino]-6-chlorobenzamide (PubChem CID 81089935) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)phenyl]methylamino]-6-chlorobenzamide.

Molecular Properties

Compound Name2-[[4-(aminomethyl)phenyl]methylamino]-6-chlorobenzamide
PubChem CID81089935
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name2-[[4-(aminomethyl)phenyl]methylamino]-6-chlorobenzamide
SMILESNCc1ccc(CNc2cccc(Cl)c2C(N)=O)cc1
InChIInChI=1S/C15H16ClN3O/c16-12-2-1-3-13(14(12)15(18)20)19-9-11-6-4-10(8-17)5-7-11/h1-7,19H,8-9,17H2,(H2,18,20)
InChIKeyBURXKDVPIHJTNP-UHFFFAOYSA-N
XLogP2.51
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-[(4-methylphenyl)methylamino]benzenecarbothioamide
CID 62500937
2-[(4-bromophenyl)methylamino]-6-chlorobenzoic acid
CID 62711304
2-chloro-6-[(4-fluorophenyl)methylamino]benzoic acid
CID 62710779
3-(2-carbamoyl-3-chloroanilino)propanoic acid
CID 62501578
2-chloro-6-[(4-propan-2-ylphenyl)methylamino]benzenecarbothioamide
CID 62497708
2-chloro-6-(methylamino)benzamide
CID 58906344
2-[(2-carbamoyl-3-chloroanilino)methyl]-3-methylbutanoic acid
CID 65221871
2,6-dichlorobenzamide;hydrochloride
CID 172775002
4-[(2-carbamoyl-3-chloroanilino)methyl]oxane-4-carboxylic acid
CID 115438731
4-[(naphthalen-1-ylamino)methyl]benzamide
CID 25344267
2-[2-(2-aminophenoxy)ethylamino]-6-chlorobenzamide
CID 62497017
2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-6-chlorobenzamide
CID 115310251

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)phenyl]methylamino]-6-chlorobenzamide?
The IUPAC name of 2-[[4-(aminomethyl)phenyl]methylamino]-6-chlorobenzamide (CID 81089935) is 2-[[4-(aminomethyl)phenyl]methylamino]-6-chlorobenzamide.
What is the SMILES notation for 2-[[4-(aminomethyl)phenyl]methylamino]-6-chlorobenzamide?
The canonical SMILES for 2-[[4-(aminomethyl)phenyl]methylamino]-6-chlorobenzamide is NCc1ccc(CNc2cccc(Cl)c2C(N)=O)cc1.
What is the InChIKey of 2-[[4-(aminomethyl)phenyl]methylamino]-6-chlorobenzamide?
The InChIKey is BURXKDVPIHJTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-12-2-1-3-13(14(12)15(18)20)19-9-11-6-4-10(8-17)5-7-11/h1-7,19H,8-9,17H2,(H2,18,20).
What are the key properties of 2-[[4-(aminomethyl)phenyl]methylamino]-6-chlorobenzamide?
2-[[4-(aminomethyl)phenyl]methylamino]-6-chlorobenzamide has a molecular weight of 289.77 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)phenyl]methylamino]-6-chlorobenzamide is sourced from PubChem (CID 81089935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).