4-bromo-N-butan-2-yl-2-hydroxybenzamide

C11H14BrNO2 — CID 47435868

IUPAC4-bromo-N-butan-2-yl-2-hydroxybenzamide
SMILESCCC(C)NC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C11H14BrNO2/c1-3-7(2)13-11(15)9-5-4-8(12)6-10(9)14/h4-7,14H,3H2,1-2H3,(H,13,15)
InChIKeyQJWSOSMIJNFDMP-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.68
Rot. Bonds3

About 4-bromo-N-butan-2-yl-2-hydroxybenzamide

4-bromo-N-butan-2-yl-2-hydroxybenzamide (PubChem CID 47435868) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 4-bromo-N-butan-2-yl-2-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-butan-2-yl-2-hydroxybenzamide
PubChem CID47435868
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name4-bromo-N-butan-2-yl-2-hydroxybenzamide
SMILESCCC(C)NC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C11H14BrNO2/c1-3-7(2)13-11(15)9-5-4-8(12)6-10(9)14/h4-7,14H,3H2,1-2H3,(H,13,15)
InChIKeyQJWSOSMIJNFDMP-UHFFFAOYSA-N
XLogP2.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-butan-2-yl-2-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

4-bromo-2-hydroxy-N-octan-2-ylbenzamide
CID 55223939
5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide
CID 93417126
5-bromo-N-butan-2-yl-2-chlorobenzamide
CID 60629191
4-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-hydroxybenzamide
CID 103110775
4-bromo-2-hydroxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906485
5-bromo-2-hydroxy-N-pentan-3-ylbenzamide
CID 103600405
4-bromo-2-hydroxy-N-(1-thiophen-2-ylethyl)benzamide
CID 47436073
2-amino-4-bromo-N-(4-methylhexan-2-yl)benzamide
CID 79721645
3-[(2,4-dibromobenzoyl)amino]butanoic acid
CID 107937736
2-[(4-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 79793336
4-bromo-2-hydroxy-N-(4-methylpentyl)benzamide
CID 63528181
2,4-dibromo-N-heptan-2-ylbenzamide
CID 114019926

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-butan-2-yl-2-hydroxybenzamide?
The IUPAC name of 4-bromo-N-butan-2-yl-2-hydroxybenzamide (CID 47435868) is 4-bromo-N-butan-2-yl-2-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-butan-2-yl-2-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-butan-2-yl-2-hydroxybenzamide is CCC(C)NC(=O)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-N-butan-2-yl-2-hydroxybenzamide?
The InChIKey is QJWSOSMIJNFDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-3-7(2)13-11(15)9-5-4-8(12)6-10(9)14/h4-7,14H,3H2,1-2H3,(H,13,15).
What are the key properties of 4-bromo-N-butan-2-yl-2-hydroxybenzamide?
4-bromo-N-butan-2-yl-2-hydroxybenzamide has a molecular weight of 272.14 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-butan-2-yl-2-hydroxybenzamide is sourced from PubChem (CID 47435868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).