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

C15H16BrN3O — CID 61415810

IUPAC3-amino-4-[(3-bromophenyl)methyl-methylamino]benzamide
SMILESCN(Cc1cccc(Br)c1)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C15H16BrN3O/c1-19(9-10-3-2-4-12(16)7-10)14-6-5-11(15(18)20)8-13(14)17/h2-8H,9,17H2,1H3,(H2,18,20)
InChIKeyBCNRYLTVEYOUBT-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.77
Rot. Bonds4

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

3-amino-4-[(3-bromophenyl)methyl-methylamino]benzamide (PubChem CID 61415810) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 3-amino-4-[(3-bromophenyl)methyl-methylamino]benzamide.

Molecular Properties

Compound Name3-amino-4-[(3-bromophenyl)methyl-methylamino]benzamide
PubChem CID61415810
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name3-amino-4-[(3-bromophenyl)methyl-methylamino]benzamide
SMILESCN(Cc1cccc(Br)c1)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C15H16BrN3O/c1-19(9-10-3-2-4-12(16)7-10)14-6-5-11(15(18)20)8-13(14)17/h2-8H,9,17H2,1H3,(H2,18,20)
InChIKeyBCNRYLTVEYOUBT-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1-N-[(3-bromophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 61415618
3-amino-4-[(3-methoxyphenyl)methyl-methylamino]benzamide
CID 61420166
3-amino-4-[(4-chlorophenyl)methyl-methylamino]benzamide
CID 61415166
2-amino-5-[(3-bromophenyl)methyl-methylamino]benzamide
CID 61416275
5-amino-2-[(3-bromophenyl)methyl-methylamino]benzoic acid
CID 61416177
1-N-[(3-bromophenyl)methyl]-4-chloro-1-N,5-dimethylbenzene-1,2-diamine
CID 115126569
1-[2-[(3-bromophenyl)methyl-methylamino]phenyl]ethanone
CID 61416058
methyl 2-amino-5-[(3-bromophenyl)methyl-methylamino]benzoate
CID 63423524
2-[(3-bromophenyl)methyl-methylamino]-5-fluorobenzaldehyde
CID 61416401
3-[[(5-bromo-2-pyridinyl)-methylamino]methyl]benzamide
CID 75421846
4-amino-N-[(3-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62682042
1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanone
CID 61068200

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(3-bromophenyl)methyl-methylamino]benzamide?
The IUPAC name of 3-amino-4-[(3-bromophenyl)methyl-methylamino]benzamide (CID 61415810) is 3-amino-4-[(3-bromophenyl)methyl-methylamino]benzamide.
What is the SMILES notation for 3-amino-4-[(3-bromophenyl)methyl-methylamino]benzamide?
The canonical SMILES for 3-amino-4-[(3-bromophenyl)methyl-methylamino]benzamide is CN(Cc1cccc(Br)c1)c1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-[(3-bromophenyl)methyl-methylamino]benzamide?
The InChIKey is BCNRYLTVEYOUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-19(9-10-3-2-4-12(16)7-10)14-6-5-11(15(18)20)8-13(14)17/h2-8H,9,17H2,1H3,(H2,18,20).
What are the key properties of 3-amino-4-[(3-bromophenyl)methyl-methylamino]benzamide?
3-amino-4-[(3-bromophenyl)methyl-methylamino]benzamide 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 3-amino-4-[(3-bromophenyl)methyl-methylamino]benzamide is sourced from PubChem (CID 61415810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).