2-amino-N-[1-(2-bromophenyl)ethyl]-5-hydroxybenzamide

C15H15BrN2O2 — CID 107074317

IUPAC2-amino-N-[1-(2-bromophenyl)ethyl]-5-hydroxybenzamide
SMILESCC(NC(=O)c1cc(O)ccc1N)c1ccccc1Br
InChIInChI=1S/C15H15BrN2O2/c1-9(11-4-2-3-5-13(11)16)18-15(20)12-8-10(19)6-7-14(12)17/h2-9,19H,17H2,1H3,(H,18,20)
InChIKeyDAVKWTUWALDAJT-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.23
Rot. Bonds3

About 2-amino-N-[1-(2-bromophenyl)ethyl]-5-hydroxybenzamide

2-amino-N-[1-(2-bromophenyl)ethyl]-5-hydroxybenzamide (PubChem CID 107074317) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-amino-N-[1-(2-bromophenyl)ethyl]-5-hydroxybenzamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-bromophenyl)ethyl]-5-hydroxybenzamide
PubChem CID107074317
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-amino-N-[1-(2-bromophenyl)ethyl]-5-hydroxybenzamide
SMILESCC(NC(=O)c1cc(O)ccc1N)c1ccccc1Br
InChIInChI=1S/C15H15BrN2O2/c1-9(11-4-2-3-5-13(11)16)18-15(20)12-8-10(19)6-7-14(12)17/h2-9,19H,17H2,1H3,(H,18,20)
InChIKeyDAVKWTUWALDAJT-UHFFFAOYSA-N
XLogP3.23
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-[1-(2-bromophenyl)ethyl]-5-hydroxybenzamide 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

2-amino-4-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]benzamide
CID 81397255
2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 42998507
5-amino-N-[1-(2-bromophenyl)ethyl]-2-methylbenzamide
CID 61291745
4-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-3-chlorobenzamide
CID 81396694
4-amino-N-[1-(2-bromophenyl)ethyl]-3-fluorobenzamide
CID 62680240
N-[1-(2-bromophenyl)ethyl]-2-chlorobenzamide
CID 42998565
2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide
CID 81110213
N-[(1R)-1-(2-bromophenyl)ethyl]-2-iodobenzamide
CID 26085546
2-amino-N-but-3-yn-2-yl-5-hydroxybenzamide
CID 102739361
N-[1-(2-bromophenyl)ethyl]-2-(methylamino)benzamide
CID 60706338
2-chloro-N-[1-(2-chlorophenyl)ethyl]-5-hydroxybenzamide
CID 106501562
2-amino-5-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 114167823

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-bromophenyl)ethyl]-5-hydroxybenzamide?
The IUPAC name of 2-amino-N-[1-(2-bromophenyl)ethyl]-5-hydroxybenzamide (CID 107074317) is 2-amino-N-[1-(2-bromophenyl)ethyl]-5-hydroxybenzamide.
What is the SMILES notation for 2-amino-N-[1-(2-bromophenyl)ethyl]-5-hydroxybenzamide?
The canonical SMILES for 2-amino-N-[1-(2-bromophenyl)ethyl]-5-hydroxybenzamide is CC(NC(=O)c1cc(O)ccc1N)c1ccccc1Br.
What is the InChIKey of 2-amino-N-[1-(2-bromophenyl)ethyl]-5-hydroxybenzamide?
The InChIKey is DAVKWTUWALDAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-9(11-4-2-3-5-13(11)16)18-15(20)12-8-10(19)6-7-14(12)17/h2-9,19H,17H2,1H3,(H,18,20).
What are the key properties of 2-amino-N-[1-(2-bromophenyl)ethyl]-5-hydroxybenzamide?
2-amino-N-[1-(2-bromophenyl)ethyl]-5-hydroxybenzamide has a molecular weight of 335.20 g/mol, XLogP of 3.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-bromophenyl)ethyl]-5-hydroxybenzamide is sourced from PubChem (CID 107074317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).