4-chloro-3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide

C11H13ClFNO2 — CID 103876641

IUPAC4-chloro-3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide
SMILESCC(CO)CNC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H13ClFNO2/c1-7(6-15)5-14-11(16)8-2-3-9(12)10(13)4-8/h2-4,7,15H,5-6H2,1H3,(H,14,16)
InChIKeyCGLQMSGFNNHVOA-UHFFFAOYSA-N
MW245.68 g/mol
LogP1.84
Rot. Bonds4

About 4-chloro-3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide

4-chloro-3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide (PubChem CID 103876641) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide
PubChem CID103876641
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC Name4-chloro-3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide
SMILESCC(CO)CNC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H13ClFNO2/c1-7(6-15)5-14-11(16)8-2-3-9(12)10(13)4-8/h2-4,7,15H,5-6H2,1H3,(H,14,16)
InChIKeyCGLQMSGFNNHVOA-UHFFFAOYSA-N
XLogP1.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-fluoro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 103876642
4-chloro-3-fluoro-N-(2-methylpropyl)benzamide
CID 103875490
4-chloro-N-(2-cyanopropyl)-3-fluorobenzamide
CID 103876454
N-(2-bromobutyl)-4-chloro-3-fluorobenzamide
CID 107994206
4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 65037242
4-chloro-3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103876622
4-chloro-3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 107990807
3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65031989
4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-nitrobenzamide
CID 65031376
N-(2-bromo-4,4-dimethylpentyl)-4-chloro-3-fluorobenzamide
CID 114025307
4-chloro-3-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 107989597
3-[[(4-chloro-3-fluorobenzoyl)amino]methyl]pentanoic acid
CID 114025747

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide?
The IUPAC name of 4-chloro-3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide (CID 103876641) is 4-chloro-3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide.
What is the SMILES notation for 4-chloro-3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide?
The canonical SMILES for 4-chloro-3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide is CC(CO)CNC(=O)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide?
The InChIKey is CGLQMSGFNNHVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c1-7(6-15)5-14-11(16)8-2-3-9(12)10(13)4-8/h2-4,7,15H,5-6H2,1H3,(H,14,16).
What are the key properties of 4-chloro-3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide?
4-chloro-3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide has a molecular weight of 245.68 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide is sourced from PubChem (CID 103876641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).