4-bromo-N-(5-chloro-4-methylpentyl)-2-hydroxybenzamide

C13H17BrClNO2 — CID 106156782

IUPAC4-bromo-N-(5-chloro-4-methylpentyl)-2-hydroxybenzamide
SMILESCC(CCl)CCCNC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C13H17BrClNO2/c1-9(8-15)3-2-6-16-13(18)11-5-4-10(14)7-12(11)17/h4-5,7,9,17H,2-3,6,8H2,1H3,(H,16,18)
InChIKeyNMFGRGQDQLZNNU-UHFFFAOYSA-N
MW334.64 g/mol
LogP3.54
Rot. Bonds6

About 4-bromo-N-(5-chloro-4-methylpentyl)-2-hydroxybenzamide

4-bromo-N-(5-chloro-4-methylpentyl)-2-hydroxybenzamide (PubChem CID 106156782) has the molecular formula C13H17BrClNO2 and a molecular weight of 334.64 g/mol. Its IUPAC name is 4-bromo-N-(5-chloro-4-methylpentyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(5-chloro-4-methylpentyl)-2-hydroxybenzamide
PubChem CID106156782
Molecular FormulaC13H17BrClNO2
Molecular Weight334.64 g/mol
Exact Mass333.01
IUPAC Name4-bromo-N-(5-chloro-4-methylpentyl)-2-hydroxybenzamide
SMILESCC(CCl)CCCNC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C13H17BrClNO2/c1-9(8-15)3-2-6-16-13(18)11-5-4-10(14)7-12(11)17/h4-5,7,9,17H,2-3,6,8H2,1H3,(H,16,18)
InChIKeyNMFGRGQDQLZNNU-UHFFFAOYSA-N
XLogP3.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-N-(5-chloro-4-methylpentyl)-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-(4-methylpentyl)benzamide
CID 63528181
3-bromo-N-(5-chloro-4-methylpentyl)benzamide
CID 106157091
4-bromo-N-(5-bromo-4-methylpentyl)-2-chlorobenzamide
CID 114151560
2,4-dichloro-N-(5-chloro-4-methylpentyl)benzamide
CID 106157104
4-bromo-2-hydroxy-N-(2-propan-2-yloxyethyl)benzamide
CID 113429309
4-bromo-N-(5-bromo-4-methylpentyl)-2-methylbenzamide
CID 106157759
N-(5-chloro-4-methylpentyl)-2,6-dihydroxybenzamide
CID 106157251
4-bromo-N-(4-chloropentyl)-2-methylbenzamide
CID 106129866
N-(5-chloro-4-methylpentyl)-4-hydroxy-3-methylbenzamide
CID 106156836
4-bromo-2-hydroxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906485
2,5-dibromo-N-(4-hydroxypentyl)benzamide
CID 107300307
4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-2-hydroxybenzamide
CID 83120499

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-chloro-4-methylpentyl)-2-hydroxybenzamide?
The IUPAC name of 4-bromo-N-(5-chloro-4-methylpentyl)-2-hydroxybenzamide (CID 106156782) is 4-bromo-N-(5-chloro-4-methylpentyl)-2-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-(5-chloro-4-methylpentyl)-2-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-(5-chloro-4-methylpentyl)-2-hydroxybenzamide is CC(CCl)CCCNC(=O)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-N-(5-chloro-4-methylpentyl)-2-hydroxybenzamide?
The InChIKey is NMFGRGQDQLZNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO2/c1-9(8-15)3-2-6-16-13(18)11-5-4-10(14)7-12(11)17/h4-5,7,9,17H,2-3,6,8H2,1H3,(H,16,18).
What are the key properties of 4-bromo-N-(5-chloro-4-methylpentyl)-2-hydroxybenzamide?
4-bromo-N-(5-chloro-4-methylpentyl)-2-hydroxybenzamide has a molecular weight of 334.64 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-chloro-4-methylpentyl)-2-hydroxybenzamide is sourced from PubChem (CID 106156782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).