4-bromo-2-chloro-N-(5-hydroxypentyl)benzamide

C12H15BrClNO2 — CID 107319112

IUPAC4-bromo-2-chloro-N-(5-hydroxypentyl)benzamide
SMILESO=C(NCCCCCO)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H15BrClNO2/c13-9-4-5-10(11(14)8-9)12(17)15-6-2-1-3-7-16/h4-5,8,16H,1-3,6-7H2,(H,15,17)
InChIKeyQQNHLHXDXVOBRJ-UHFFFAOYSA-N
MW320.61 g/mol
LogP2.99
Rot. Bonds6

About 4-bromo-2-chloro-N-(5-hydroxypentyl)benzamide

4-bromo-2-chloro-N-(5-hydroxypentyl)benzamide (PubChem CID 107319112) has the molecular formula C12H15BrClNO2 and a molecular weight of 320.61 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(5-hydroxypentyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(5-hydroxypentyl)benzamide
PubChem CID107319112
Molecular FormulaC12H15BrClNO2
Molecular Weight320.61 g/mol
Exact Mass319.00
IUPAC Name4-bromo-2-chloro-N-(5-hydroxypentyl)benzamide
SMILESO=C(NCCCCCO)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H15BrClNO2/c13-9-4-5-10(11(14)8-9)12(17)15-6-2-1-3-7-16/h4-5,8,16H,1-3,6-7H2,(H,15,17)
InChIKeyQQNHLHXDXVOBRJ-UHFFFAOYSA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-2-chloro-N-(5-hydroxypentyl)benzamide 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-fluoro-N-(4-hydroxybutyl)benzamide
CID 106842307
2-bromo-4-chloro-N-(5-hydroxypentyl)benzamide
CID 107342949
4-bromo-N-(6-hydroxyhexyl)-2-(trifluoromethyl)benzamide
CID 103925383
2-chloro-N-(6-hydroxyhexyl)-4-nitrobenzamide
CID 103919226
N-(3-azidopropyl)-4-bromo-2-chlorobenzamide
CID 61344725
4-bromo-N-(5-bromo-4-methylpentyl)-2-chlorobenzamide
CID 114151560
2-chloro-N-(6-hydroxyhexyl)-4,5-dimethylbenzamide
CID 110028260
4-amino-2-chloro-N-(3-hydroxypropyl)benzamide
CID 43167675
7-[(5-bromo-2-chlorobenzoyl)amino]heptanoic acid
CID 43240050
N-(6-bromohexyl)-2-chloro-4-methylbenzamide
CID 107847912
(2S)-4-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 114006650
4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43805782

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(5-hydroxypentyl)benzamide?
The IUPAC name of 4-bromo-2-chloro-N-(5-hydroxypentyl)benzamide (CID 107319112) is 4-bromo-2-chloro-N-(5-hydroxypentyl)benzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(5-hydroxypentyl)benzamide?
The canonical SMILES for 4-bromo-2-chloro-N-(5-hydroxypentyl)benzamide is O=C(NCCCCCO)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(5-hydroxypentyl)benzamide?
The InChIKey is QQNHLHXDXVOBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2/c13-9-4-5-10(11(14)8-9)12(17)15-6-2-1-3-7-16/h4-5,8,16H,1-3,6-7H2,(H,15,17).
What are the key properties of 4-bromo-2-chloro-N-(5-hydroxypentyl)benzamide?
4-bromo-2-chloro-N-(5-hydroxypentyl)benzamide has a molecular weight of 320.61 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(5-hydroxypentyl)benzamide is sourced from PubChem (CID 107319112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).