2-chloro-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide

C10H11ClFNO2 — CID 83030652

IUPAC2-chloro-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
SMILESC[C@H](O)CNC(=O)c1cccc(F)c1Cl
InChIInChI=1S/C10H11ClFNO2/c1-6(14)5-13-10(15)7-3-2-4-8(12)9(7)11/h2-4,6,14H,5H2,1H3,(H,13,15)/t6-/m0/s1
InChIKeyPWIHLMCWKABNRH-LURJTMIESA-N
MW231.65 g/mol
LogP1.59
Rot. Bonds3

About 2-chloro-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide

2-chloro-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide (PubChem CID 83030652) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is 2-chloro-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name2-chloro-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
PubChem CID83030652
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Name2-chloro-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
SMILESC[C@H](O)CNC(=O)c1cccc(F)c1Cl
InChIInChI=1S/C10H11ClFNO2/c1-6(14)5-13-10(15)7-3-2-4-8(12)9(7)11/h2-4,6,14H,5H2,1H3,(H,13,15)/t6-/m0/s1
InChIKeyPWIHLMCWKABNRH-LURJTMIESA-N
XLogP1.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-chloro-3-fluoro-N-[(2S)-2-hydroxypropyl]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-chloro-3-fluoro-N-(2-hydroxy-3-methylbutyl)benzamide
CID 113268438
2-fluoro-N-(2-hydroxypropyl)benzamide
CID 43391205
2-amino-3-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 96696408
methyl 2-bromo-3-[(2-chloro-3-fluorobenzoyl)amino]propanoate
CID 103492546
4-[(2-chloro-3-fluorobenzoyl)amino]-2-methylbutanoic acid
CID 81453598
2-fluoro-6-hydroxy-N-[(2R)-2-hydroxypropyl]benzamide
CID 104920570
2,3-dihydroxy-N-(2-hydroxypropyl)benzamide
CID 114344897
N-(2-chloropropyl)-3-fluoro-2-methylbenzamide
CID 131197905
4-chloro-2,5-difluoro-N-(2-hydroxypropyl)benzamide
CID 82771930
2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxybutanoic acid
CID 81453778
2-chloro-3-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 81461590
2,5-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031874

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide?
The IUPAC name of 2-chloro-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide (CID 83030652) is 2-chloro-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide.
What is the SMILES notation for 2-chloro-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide?
The canonical SMILES for 2-chloro-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide is C[C@H](O)CNC(=O)c1cccc(F)c1Cl.
What is the InChIKey of 2-chloro-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide?
The InChIKey is PWIHLMCWKABNRH-LURJTMIESA-N. The full InChI is InChI=1S/C10H11ClFNO2/c1-6(14)5-13-10(15)7-3-2-4-8(12)9(7)11/h2-4,6,14H,5H2,1H3,(H,13,15)/t6-/m0/s1.
What are the key properties of 2-chloro-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide?
2-chloro-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide has a molecular weight of 231.65 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide is sourced from PubChem (CID 83030652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).