3-(2-aminophenyl)-N-(3-bromo-2-hydroxyphenyl)propanamide

C15H15BrN2O2 — CID 107273305

IUPAC3-(2-aminophenyl)-N-(3-bromo-2-hydroxyphenyl)propanamide
SMILESNc1ccccc1CCC(=O)Nc1cccc(Br)c1O
InChIInChI=1S/C15H15BrN2O2/c16-11-5-3-7-13(15(11)20)18-14(19)9-8-10-4-1-2-6-12(10)17/h1-7,20H,8-9,17H2,(H,18,19)
InChIKeyYNUHOACWXSUADW-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.31
Rot. Bonds4

About 3-(2-aminophenyl)-N-(3-bromo-2-hydroxyphenyl)propanamide

3-(2-aminophenyl)-N-(3-bromo-2-hydroxyphenyl)propanamide (PubChem CID 107273305) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(3-bromo-2-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(3-bromo-2-hydroxyphenyl)propanamide
PubChem CID107273305
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name3-(2-aminophenyl)-N-(3-bromo-2-hydroxyphenyl)propanamide
SMILESNc1ccccc1CCC(=O)Nc1cccc(Br)c1O
InChIInChI=1S/C15H15BrN2O2/c16-11-5-3-7-13(15(11)20)18-14(19)9-8-10-4-1-2-6-12(10)17/h1-7,20H,8-9,17H2,(H,18,19)
InChIKeyYNUHOACWXSUADW-UHFFFAOYSA-N
XLogP3.31
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-aminophenyl)-N-(3-bromo-2-hydroxyphenyl)propanamide 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-(2-aminophenyl)-N-(2-bromo-6-fluorophenyl)propanamide
CID 107599852
2-[3-(2-aminophenyl)propanoylamino]benzoic acid
CID 107272931
2-[2-(aminomethyl)phenyl]-N-(3-bromo-2-hydroxyphenyl)acetamide
CID 81499893
4-amino-N-(3-bromo-2-hydroxyphenyl)pentanamide
CID 81496462
3-(2-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)propanamide
CID 107272746
3-(2-aminophenyl)-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]propanamide
CID 120611008
3-(2-aminophenyl)-N-(2-hydroxy-5-methylphenyl)propanamide
CID 107273233
3-(2-aminophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 28714106
3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide
CID 28713886
3-(2-aminophenyl)-N-(2,4-difluorophenyl)propanamide
CID 28714073
3-(2-aminophenyl)-N-(2-propan-2-yloxyphenyl)propanamide;hydrochloride
CID 120608791
3-(2-aminophenyl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]propanamide;dihydrochloride
CID 120612614

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(3-bromo-2-hydroxyphenyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(3-bromo-2-hydroxyphenyl)propanamide (CID 107273305) is 3-(2-aminophenyl)-N-(3-bromo-2-hydroxyphenyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(3-bromo-2-hydroxyphenyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(3-bromo-2-hydroxyphenyl)propanamide is Nc1ccccc1CCC(=O)Nc1cccc(Br)c1O.
What is the InChIKey of 3-(2-aminophenyl)-N-(3-bromo-2-hydroxyphenyl)propanamide?
The InChIKey is YNUHOACWXSUADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c16-11-5-3-7-13(15(11)20)18-14(19)9-8-10-4-1-2-6-12(10)17/h1-7,20H,8-9,17H2,(H,18,19).
What are the key properties of 3-(2-aminophenyl)-N-(3-bromo-2-hydroxyphenyl)propanamide?
3-(2-aminophenyl)-N-(3-bromo-2-hydroxyphenyl)propanamide has a molecular weight of 335.20 g/mol, XLogP of 3.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(3-bromo-2-hydroxyphenyl)propanamide is sourced from PubChem (CID 107273305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).