4-fluoro-N-(2-hydroxy-2-methylpentyl)benzamide

C13H18FNO2 — CID 113240357

IUPAC4-fluoro-N-(2-hydroxy-2-methylpentyl)benzamide
SMILESCCCC(C)(O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-3-8-13(2,17)9-15-12(16)10-4-6-11(14)7-5-10/h4-7,17H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyWQDKPWZVSFZWAG-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.11
Rot. Bonds5

About 4-fluoro-N-(2-hydroxy-2-methylpentyl)benzamide

4-fluoro-N-(2-hydroxy-2-methylpentyl)benzamide (PubChem CID 113240357) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydroxy-2-methylpentyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-hydroxy-2-methylpentyl)benzamide
PubChem CID113240357
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name4-fluoro-N-(2-hydroxy-2-methylpentyl)benzamide
SMILESCCCC(C)(O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-3-8-13(2,17)9-15-12(16)10-4-6-11(14)7-5-10/h4-7,17H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyWQDKPWZVSFZWAG-UHFFFAOYSA-N
XLogP2.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65107691
4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103712736
4-[(4-fluorobenzoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66000907
3,4-dichloro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240344
4-chloro-N-(2-hydroxy-2-methylpentyl)-3-methylbenzamide
CID 103760453
3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylbenzamide
CID 106289291
N-(2-hydroxy-2-methylpentyl)quinoxaline-6-carboxamide
CID 103713237
3-amino-4-bromo-N-(2-hydroxy-2-methylpentyl)benzamide
CID 106289346
N-(2-hydroxy-2-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 106292129
3-bromo-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzamide
CID 103713122
N-(2-hydroxy-2-methylbutyl)-4-methylbenzamide
CID 65109665
N-[2-(bromomethyl)-2-ethylbutyl]-4-fluorobenzamide
CID 114164806

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydroxy-2-methylpentyl)benzamide?
The IUPAC name of 4-fluoro-N-(2-hydroxy-2-methylpentyl)benzamide (CID 113240357) is 4-fluoro-N-(2-hydroxy-2-methylpentyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(2-hydroxy-2-methylpentyl)benzamide?
The canonical SMILES for 4-fluoro-N-(2-hydroxy-2-methylpentyl)benzamide is CCCC(C)(O)CNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-hydroxy-2-methylpentyl)benzamide?
The InChIKey is WQDKPWZVSFZWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-3-8-13(2,17)9-15-12(16)10-4-6-11(14)7-5-10/h4-7,17H,3,8-9H2,1-2H3,(H,15,16).
What are the key properties of 4-fluoro-N-(2-hydroxy-2-methylpentyl)benzamide?
4-fluoro-N-(2-hydroxy-2-methylpentyl)benzamide has a molecular weight of 239.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-hydroxy-2-methylpentyl)benzamide is sourced from PubChem (CID 113240357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).