4-bromo-3-chloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide

C13H17BrClNO2 — CID 81295056

IUPAC4-bromo-3-chloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(CO)NC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H17BrClNO2/c1-8(2)5-10(7-17)16-13(18)9-3-4-11(14)12(15)6-9/h3-4,6,8,10,17H,5,7H2,1-2H3,(H,16,18)
InChIKeyOIYDSSTWOVTSTD-UHFFFAOYSA-N
MW334.64 g/mol
LogP3.24
Rot. Bonds5

About 4-bromo-3-chloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide

4-bromo-3-chloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide (PubChem CID 81295056) has the molecular formula C13H17BrClNO2 and a molecular weight of 334.64 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
PubChem CID81295056
Molecular FormulaC13H17BrClNO2
Molecular Weight334.64 g/mol
Exact Mass333.01
IUPAC Name4-bromo-3-chloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(CO)NC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H17BrClNO2/c1-8(2)5-10(7-17)16-13(18)9-3-4-11(14)12(15)6-9/h3-4,6,8,10,17H,5,7H2,1-2H3,(H,16,18)
InChIKeyOIYDSSTWOVTSTD-UHFFFAOYSA-N
XLogP3.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-bromo-3-chloro-N-(1-hydroxy-4-methylpentan-2-yl)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

3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246469
4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide
CID 39357973
N-(1-bromo-4-methylpentan-2-yl)-3-chloro-4-hydroxybenzamide
CID 114311603
N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-chlorobenzamide
CID 114024777
3,5-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61245438
4-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 103957663
3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide
CID 61247340
4-bromo-3-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 80965532
4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 63213629
N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride
CID 119585468
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-4-bromo-3-chlorobenzamide
CID 124589162
4-bromo-3-chloro-N-(1-methoxy-3-methylbutan-2-yl)benzamide
CID 81002884

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide (CID 81295056) is 4-bromo-3-chloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide is CC(C)CC(CO)NC(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide?
The InChIKey is OIYDSSTWOVTSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO2/c1-8(2)5-10(7-17)16-13(18)9-3-4-11(14)12(15)6-9/h3-4,6,8,10,17H,5,7H2,1-2H3,(H,16,18).
What are the key properties of 4-bromo-3-chloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide?
4-bromo-3-chloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide has a molecular weight of 334.64 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide is sourced from PubChem (CID 81295056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).