N-(4-bromo-2-ethylphenyl)-2,3-dihydroxybenzamide

C15H14BrNO3 — CID 114343713

IUPACN-(4-bromo-2-ethylphenyl)-2,3-dihydroxybenzamide
SMILESCCc1cc(Br)ccc1NC(=O)c1cccc(O)c1O
InChIInChI=1S/C15H14BrNO3/c1-2-9-8-10(16)6-7-12(9)17-15(20)11-4-3-5-13(18)14(11)19/h3-8,18-19H,2H2,1H3,(H,17,20)
InChIKeyVESJZONVFZYZSJ-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.67
Rot. Bonds3

About N-(4-bromo-2-ethylphenyl)-2,3-dihydroxybenzamide

N-(4-bromo-2-ethylphenyl)-2,3-dihydroxybenzamide (PubChem CID 114343713) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-2,3-dihydroxybenzamide
PubChem CID114343713
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC NameN-(4-bromo-2-ethylphenyl)-2,3-dihydroxybenzamide
SMILESCCc1cc(Br)ccc1NC(=O)c1cccc(O)c1O
InChIInChI=1S/C15H14BrNO3/c1-2-9-8-10(16)6-7-12(9)17-15(20)11-4-3-5-13(18)14(11)19/h3-8,18-19H,2H2,1H3,(H,17,20)
InChIKeyVESJZONVFZYZSJ-UHFFFAOYSA-N
XLogP3.67
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-(4-bromo-2-ethylphenyl)-2,3-dihydroxybenzamide 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-bromo-N-(4-bromo-2-ethylphenyl)-3-methylbenzamide
CID 103855381
N-(4-bromo-2-ethylphenyl)-2-methylbenzamide
CID 81003246
N-(5-bromo-2-methylphenyl)-2,3-dihydroxybenzamide
CID 114343683
N-(4-bromo-2-ethylphenyl)-3-chloro-2-methylbenzamide
CID 107096920
N-(4-bromo-2-ethylphenyl)-2-methylsulfanylbenzamide
CID 81035804
N-(5-bromo-2-chlorophenyl)-2,3-dihydroxybenzamide
CID 114343698
N-(5-bromo-2-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343963
2-bromo-N-(4-bromo-2-ethylphenyl)furan-3-carboxamide
CID 106852304
N-(4-bromo-2-ethylphenyl)-3-hydroxy-4-iodobenzamide
CID 104629754
N-(4-bromo-2-ethylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 81287386
2-[2-[(4-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid
CID 62534197
4-bromo-N-(2-ethylphenyl)-2-methoxybenzamide
CID 78987528

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-2,3-dihydroxybenzamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-2,3-dihydroxybenzamide (CID 114343713) is N-(4-bromo-2-ethylphenyl)-2,3-dihydroxybenzamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-2,3-dihydroxybenzamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-2,3-dihydroxybenzamide is CCc1cc(Br)ccc1NC(=O)c1cccc(O)c1O.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-2,3-dihydroxybenzamide?
The InChIKey is VESJZONVFZYZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-2-9-8-10(16)6-7-12(9)17-15(20)11-4-3-5-13(18)14(11)19/h3-8,18-19H,2H2,1H3,(H,17,20).
What are the key properties of N-(4-bromo-2-ethylphenyl)-2,3-dihydroxybenzamide?
N-(4-bromo-2-ethylphenyl)-2,3-dihydroxybenzamide has a molecular weight of 336.19 g/mol, XLogP of 3.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-2,3-dihydroxybenzamide is sourced from PubChem (CID 114343713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).