2-amino-4-bromo-N-[2-(1-hydroxyethyl)phenyl]benzamide

C15H15BrN2O2 — CID 79721735

IUPAC2-amino-4-bromo-N-[2-(1-hydroxyethyl)phenyl]benzamide
SMILESCC(O)c1ccccc1NC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C15H15BrN2O2/c1-9(19)11-4-2-3-5-14(11)18-15(20)12-7-6-10(16)8-13(12)17/h2-9,19H,17H2,1H3,(H,18,20)
InChIKeyPGOCEWSQMMMOCN-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.34
Rot. Bonds3

About 2-amino-4-bromo-N-[2-(1-hydroxyethyl)phenyl]benzamide

2-amino-4-bromo-N-[2-(1-hydroxyethyl)phenyl]benzamide (PubChem CID 79721735) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-amino-4-bromo-N-[2-(1-hydroxyethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-[2-(1-hydroxyethyl)phenyl]benzamide
PubChem CID79721735
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-amino-4-bromo-N-[2-(1-hydroxyethyl)phenyl]benzamide
SMILESCC(O)c1ccccc1NC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C15H15BrN2O2/c1-9(19)11-4-2-3-5-14(11)18-15(20)12-7-6-10(16)8-13(12)17/h2-9,19H,17H2,1H3,(H,18,20)
InChIKeyPGOCEWSQMMMOCN-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromo-N-(2-propan-2-ylphenyl)benzamide
CID 79714001
2-[(2-amino-4-bromobenzoyl)amino]benzoic acid
CID 79721511
2-amino-4-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]benzamide
CID 81397255
4-bromo-N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide
CID 114315530
2-amino-N-[2-(dihydroxymethyl)phenyl]benzamide
CID 5247000
2-hydroxy-N-[2-(1-hydroxyethyl)phenyl]benzamide
CID 43508470
2-amino-4-bromo-N-(2-nitrophenyl)benzamide
CID 79714381
2-amino-4-bromo-N-(2-methyl-3-pyridinyl)benzamide
CID 79713450
2,4-dichloro-N-[2-(1-hydroxyethyl)phenyl]benzamide
CID 43508509
CID 6395404
CID 6395404
2-amino-4-methoxy-N-(2-propan-2-ylphenyl)benzamide
CID 80503097
2-amino-4-bromo-N-(2-bromo-5-methylphenyl)benzamide
CID 82757217

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-[2-(1-hydroxyethyl)phenyl]benzamide?
The IUPAC name of 2-amino-4-bromo-N-[2-(1-hydroxyethyl)phenyl]benzamide (CID 79721735) is 2-amino-4-bromo-N-[2-(1-hydroxyethyl)phenyl]benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-[2-(1-hydroxyethyl)phenyl]benzamide?
The canonical SMILES for 2-amino-4-bromo-N-[2-(1-hydroxyethyl)phenyl]benzamide is CC(O)c1ccccc1NC(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-[2-(1-hydroxyethyl)phenyl]benzamide?
The InChIKey is PGOCEWSQMMMOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-9(19)11-4-2-3-5-14(11)18-15(20)12-7-6-10(16)8-13(12)17/h2-9,19H,17H2,1H3,(H,18,20).
What are the key properties of 2-amino-4-bromo-N-[2-(1-hydroxyethyl)phenyl]benzamide?
2-amino-4-bromo-N-[2-(1-hydroxyethyl)phenyl]benzamide has a molecular weight of 335.20 g/mol, XLogP of 3.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-[2-(1-hydroxyethyl)phenyl]benzamide is sourced from PubChem (CID 79721735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).