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

C15H16BrN3O — CID 107281144

IUPAC4-[(4-aminophenyl)methyl-methylamino]-2-bromobenzamide
SMILESCN(Cc1ccc(N)cc1)c1ccc(C(N)=O)c(Br)c1
InChIInChI=1S/C15H16BrN3O/c1-19(9-10-2-4-11(17)5-3-10)12-6-7-13(15(18)20)14(16)8-12/h2-8H,9,17H2,1H3,(H2,18,20)
InChIKeyYPJWHMRBBIPMAV-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.77
Rot. Bonds4

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

4-[(4-aminophenyl)methyl-methylamino]-2-bromobenzamide (PubChem CID 107281144) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 4-[(4-aminophenyl)methyl-methylamino]-2-bromobenzamide.

Molecular Properties

Compound Name4-[(4-aminophenyl)methyl-methylamino]-2-bromobenzamide
PubChem CID107281144
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name4-[(4-aminophenyl)methyl-methylamino]-2-bromobenzamide
SMILESCN(Cc1ccc(N)cc1)c1ccc(C(N)=O)c(Br)c1
InChIInChI=1S/C15H16BrN3O/c1-19(9-10-2-4-11(17)5-3-10)12-6-7-13(15(18)20)14(16)8-12/h2-8H,9,17H2,1H3,(H2,18,20)
InChIKeyYPJWHMRBBIPMAV-UHFFFAOYSA-N
XLogP2.77
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-[(3-bromophenyl)methyl-methylamino]benzamide
CID 61416275
4-[(3-amino-4-methylpentyl)-methylamino]-2-bromobenzamide
CID 107280889
4-[(3-amino-N-methylanilino)methyl]benzamide
CID 61295633
4-[(4-aminophenyl)methylamino]-2-bromobenzamide
CID 107280913
1-[2-amino-5-[(4-ethylphenyl)methyl-methylamino]phenyl]ethanone
CID 104612404
2-bromo-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzenecarbothioamide
CID 107277474
1-[2-amino-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanone
CID 104528417
2-[3-bromo-4-carbamoyl-N-[2-(dimethylamino)ethyl]anilino]acetic acid
CID 107424804
4-[(4-aminophenyl)methyl-methylamino]-N-ethylpyridine-2-carboxamide
CID 60877624
2-bromo-4-[(3-bromophenyl)methyl-methylamino]benzenecarboximidamide
CID 107279167
4-[(4-aminophenyl)methyl-ethylamino]-3-bromobenzamide
CID 82789748
N-[(4-aminophenyl)methyl]-3-chloro-N-methylaniline
CID 39349545

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenyl)methyl-methylamino]-2-bromobenzamide?
The IUPAC name of 4-[(4-aminophenyl)methyl-methylamino]-2-bromobenzamide (CID 107281144) is 4-[(4-aminophenyl)methyl-methylamino]-2-bromobenzamide.
What is the SMILES notation for 4-[(4-aminophenyl)methyl-methylamino]-2-bromobenzamide?
The canonical SMILES for 4-[(4-aminophenyl)methyl-methylamino]-2-bromobenzamide is CN(Cc1ccc(N)cc1)c1ccc(C(N)=O)c(Br)c1.
What is the InChIKey of 4-[(4-aminophenyl)methyl-methylamino]-2-bromobenzamide?
The InChIKey is YPJWHMRBBIPMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-19(9-10-2-4-11(17)5-3-10)12-6-7-13(15(18)20)14(16)8-12/h2-8H,9,17H2,1H3,(H2,18,20).
What are the key properties of 4-[(4-aminophenyl)methyl-methylamino]-2-bromobenzamide?
4-[(4-aminophenyl)methyl-methylamino]-2-bromobenzamide has a molecular weight of 334.22 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)methyl-methylamino]-2-bromobenzamide is sourced from PubChem (CID 107281144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).