2-amino-5-[(3-bromophenyl)methyl-methylamino]benzamide

C15H16BrN3O — CID 61416275

IUPAC2-amino-5-[(3-bromophenyl)methyl-methylamino]benzamide
SMILESCN(Cc1cccc(Br)c1)c1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C15H16BrN3O/c1-19(9-10-3-2-4-11(16)7-10)12-5-6-14(17)13(8-12)15(18)20/h2-8H,9,17H2,1H3,(H2,18,20)
InChIKeyUOCWLHVHTZTZIQ-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.77
Rot. Bonds4

About 2-amino-5-[(3-bromophenyl)methyl-methylamino]benzamide

2-amino-5-[(3-bromophenyl)methyl-methylamino]benzamide (PubChem CID 61416275) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 2-amino-5-[(3-bromophenyl)methyl-methylamino]benzamide.

Molecular Properties

Compound Name2-amino-5-[(3-bromophenyl)methyl-methylamino]benzamide
PubChem CID61416275
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name2-amino-5-[(3-bromophenyl)methyl-methylamino]benzamide
SMILESCN(Cc1cccc(Br)c1)c1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C15H16BrN3O/c1-19(9-10-3-2-4-11(16)7-10)12-5-6-14(17)13(8-12)15(18)20/h2-8H,9,17H2,1H3,(H2,18,20)
InChIKeyUOCWLHVHTZTZIQ-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

methyl 2-amino-5-[(3-bromophenyl)methyl-methylamino]benzoate
CID 63423524
3-amino-4-[(3-bromophenyl)methyl-methylamino]benzamide
CID 61415810
3-[(3-bromophenyl)methyl-methylamino]benzenecarbothioamide
CID 62971074
5-[(3-bromophenyl)methyl-methylamino]pyridine-2-carbothioamide
CID 115488314
2-bromo-4-[(3-bromophenyl)methyl-methylamino]benzenecarboximidamide
CID 107279167
5-amino-2-[(3-bromophenyl)methyl-methylamino]benzoic acid
CID 61416177
N-[(3-bromophenyl)methyl]-N,3-dimethylaniline
CID 55193940
5-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-2-carboximidamide
CID 136990531
4-(2-aminoethyl)-N-[(3-bromophenyl)methyl]-N-methylaniline
CID 63786530
4-[(4-aminophenyl)methyl-methylamino]-2-bromobenzamide
CID 107281144
4-bromo-1-N-[(3-bromophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 61415618
4-amino-N-[(3-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62682042

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(3-bromophenyl)methyl-methylamino]benzamide?
The IUPAC name of 2-amino-5-[(3-bromophenyl)methyl-methylamino]benzamide (CID 61416275) is 2-amino-5-[(3-bromophenyl)methyl-methylamino]benzamide.
What is the SMILES notation for 2-amino-5-[(3-bromophenyl)methyl-methylamino]benzamide?
The canonical SMILES for 2-amino-5-[(3-bromophenyl)methyl-methylamino]benzamide is CN(Cc1cccc(Br)c1)c1ccc(N)c(C(N)=O)c1.
What is the InChIKey of 2-amino-5-[(3-bromophenyl)methyl-methylamino]benzamide?
The InChIKey is UOCWLHVHTZTZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-19(9-10-3-2-4-11(16)7-10)12-5-6-14(17)13(8-12)15(18)20/h2-8H,9,17H2,1H3,(H2,18,20).
What are the key properties of 2-amino-5-[(3-bromophenyl)methyl-methylamino]benzamide?
2-amino-5-[(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 2-amino-5-[(3-bromophenyl)methyl-methylamino]benzamide is sourced from PubChem (CID 61416275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).