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

C12H15ClFNO2 — CID 103876642

IUPAC4-chloro-3-fluoro-N-(4-hydroxy-2-methylbutyl)benzamide
SMILESCC(CCO)CNC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H15ClFNO2/c1-8(4-5-16)7-15-12(17)9-2-3-10(13)11(14)6-9/h2-3,6,8,16H,4-5,7H2,1H3,(H,15,17)
InChIKeyIHFVLWBUSYWIAD-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.23
Rot. Bonds5

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

4-chloro-3-fluoro-N-(4-hydroxy-2-methylbutyl)benzamide (PubChem CID 103876642) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-(4-hydroxy-2-methylbutyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-(4-hydroxy-2-methylbutyl)benzamide
PubChem CID103876642
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name4-chloro-3-fluoro-N-(4-hydroxy-2-methylbutyl)benzamide
SMILESCC(CCO)CNC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H15ClFNO2/c1-8(4-5-16)7-15-12(17)9-2-3-10(13)11(14)6-9/h2-3,6,8,16H,4-5,7H2,1H3,(H,15,17)
InChIKeyIHFVLWBUSYWIAD-UHFFFAOYSA-N
XLogP2.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide
CID 103876641
4-chloro-3-fluoro-N-(2-methylpropyl)benzamide
CID 103875490
4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66106185
4-chloro-N-(2-cyanopropyl)-3-fluorobenzamide
CID 103876454
3,5-dichloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66106434
N-(2-bromobutyl)-4-chloro-3-fluorobenzamide
CID 107994206
2-chloro-5-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
CID 106502483
4-chloro-N-[2-(2-chloroethyl)pentyl]-3-fluorobenzamide
CID 106117571
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
2-chloro-N-(4-hydroxy-2-methylbutyl)-5-sulfanylbenzamide
CID 107031763
N-(2-bromo-4,4-dimethylpentyl)-4-chloro-3-fluorobenzamide
CID 114025307

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-(4-hydroxy-2-methylbutyl)benzamide?
The IUPAC name of 4-chloro-3-fluoro-N-(4-hydroxy-2-methylbutyl)benzamide (CID 103876642) is 4-chloro-3-fluoro-N-(4-hydroxy-2-methylbutyl)benzamide.
What is the SMILES notation for 4-chloro-3-fluoro-N-(4-hydroxy-2-methylbutyl)benzamide?
The canonical SMILES for 4-chloro-3-fluoro-N-(4-hydroxy-2-methylbutyl)benzamide is CC(CCO)CNC(=O)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-3-fluoro-N-(4-hydroxy-2-methylbutyl)benzamide?
The InChIKey is IHFVLWBUSYWIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-8(4-5-16)7-15-12(17)9-2-3-10(13)11(14)6-9/h2-3,6,8,16H,4-5,7H2,1H3,(H,15,17).
What are the key properties of 4-chloro-3-fluoro-N-(4-hydroxy-2-methylbutyl)benzamide?
4-chloro-3-fluoro-N-(4-hydroxy-2-methylbutyl)benzamide has a molecular weight of 259.71 g/mol, XLogP of 2.23, 5 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-(4-hydroxy-2-methylbutyl)benzamide is sourced from PubChem (CID 103876642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).