2-chloro-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide

C12H15ClFNO2 — CID 113343249

IUPAC2-chloro-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
SMILESCC(C)(CCO)NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C12H15ClFNO2/c1-12(2,5-6-16)15-11(17)9-4-3-8(14)7-10(9)13/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
InChIKeyYJRQDDMHRNXYEB-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.37
Rot. Bonds4

About 2-chloro-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide

2-chloro-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide (PubChem CID 113343249) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
PubChem CID113343249
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name2-chloro-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
SMILESCC(C)(CCO)NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C12H15ClFNO2/c1-12(2,5-6-16)15-11(17)9-4-3-8(14)7-10(9)13/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
InChIKeyYJRQDDMHRNXYEB-UHFFFAOYSA-N
XLogP2.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-fluoro-N-(4-hydroxy-2-methylbutan-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

2-bromo-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 113343240
2-chloro-4,5-difluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115870194
2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzamide
CID 114008491
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]-2-methylpropanoate
CID 30876006
2,4-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 821745
2-bromo-5-chloro-3-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 119052227
2,4-dihydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 113368382
N-(4-hydroxy-2-methylbutan-2-yl)-2,4-dimethylbenzamide
CID 115869801
4-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 62044139
2-bromo-4-fluoro-N-(2-methylpentan-2-yl)benzamide
CID 115598469
N-(1-amino-2,4-dimethylpentan-2-yl)-2-chloro-4-fluorobenzamide;hydrochloride
CID 119600052
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
CID 6469574

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide (CID 113343249) is 2-chloro-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide is CC(C)(CCO)NC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide?
The InChIKey is YJRQDDMHRNXYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-12(2,5-6-16)15-11(17)9-4-3-8(14)7-10(9)13/h3-4,7,16H,5-6H2,1-2H3,(H,15,17).
What are the key properties of 2-chloro-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide?
2-chloro-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide has a molecular weight of 259.71 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 113343249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).