2-amino-4-bromo-N-(3-cyanophenyl)-N-methylbenzamide

C15H12BrN3O — CID 79723280

IUPAC2-amino-4-bromo-N-(3-cyanophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Br)cc1N)c1cccc(C#N)c1
InChIInChI=1S/C15H12BrN3O/c1-19(12-4-2-3-10(7-12)9-17)15(20)13-6-5-11(16)8-14(13)18/h2-8H,18H2,1H3
InChIKeyPAXHNFQYMDBVPA-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.18
Rot. Bonds2

About 2-amino-4-bromo-N-(3-cyanophenyl)-N-methylbenzamide

2-amino-4-bromo-N-(3-cyanophenyl)-N-methylbenzamide (PubChem CID 79723280) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(3-cyanophenyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(3-cyanophenyl)-N-methylbenzamide
PubChem CID79723280
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name2-amino-4-bromo-N-(3-cyanophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Br)cc1N)c1cccc(C#N)c1
InChIInChI=1S/C15H12BrN3O/c1-19(12-4-2-3-10(7-12)9-17)15(20)13-6-5-11(16)8-14(13)18/h2-8H,18H2,1H3
InChIKeyPAXHNFQYMDBVPA-UHFFFAOYSA-N
XLogP3.18
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-4-bromo-N-(3-cyanophenyl)-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-5-bromo-N-(3-cyanophenyl)-N,2-dimethylbenzamide
CID 107872715
2-amino-N-(3-cyanophenyl)-4,5-difluoro-N-methylbenzamide
CID 62980898
2-amino-4-bromo-N-(3-fluorophenyl)-N-methylbenzamide
CID 79722420
3-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 47407969
5-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide
CID 62981357
3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide
CID 62983145
5-bromo-N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide
CID 47407994
5-amino-N-(3-cyanophenyl)-N,1-dimethylpyrazole-4-carboxamide
CID 115330802
6-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide
CID 103874290
3-chloro-N-(3-cyanophenyl)-N,2-dimethylbenzamide
CID 107096775
2-amino-4-bromo-N,N-dimethylbenzamide
CID 79714600
N-(3-aminophenyl)-4-bromo-2-chloro-N-methylbenzamide
CID 61295815

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(3-cyanophenyl)-N-methylbenzamide?
The IUPAC name of 2-amino-4-bromo-N-(3-cyanophenyl)-N-methylbenzamide (CID 79723280) is 2-amino-4-bromo-N-(3-cyanophenyl)-N-methylbenzamide.
What is the SMILES notation for 2-amino-4-bromo-N-(3-cyanophenyl)-N-methylbenzamide?
The canonical SMILES for 2-amino-4-bromo-N-(3-cyanophenyl)-N-methylbenzamide is CN(C(=O)c1ccc(Br)cc1N)c1cccc(C#N)c1.
What is the InChIKey of 2-amino-4-bromo-N-(3-cyanophenyl)-N-methylbenzamide?
The InChIKey is PAXHNFQYMDBVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c1-19(12-4-2-3-10(7-12)9-17)15(20)13-6-5-11(16)8-14(13)18/h2-8H,18H2,1H3.
What are the key properties of 2-amino-4-bromo-N-(3-cyanophenyl)-N-methylbenzamide?
2-amino-4-bromo-N-(3-cyanophenyl)-N-methylbenzamide has a molecular weight of 330.19 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(3-cyanophenyl)-N-methylbenzamide is sourced from PubChem (CID 79723280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).