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

C12H16FNO2 — CID 65107691

IUPAC4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide
SMILESCCC(C)(O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-3-12(2,16)8-14-11(15)9-4-6-10(13)7-5-9/h4-7,16H,3,8H2,1-2H3,(H,14,15)
InChIKeyRUMIEHVBHMKKPY-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.72
Rot. Bonds4

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

4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide (PubChem CID 65107691) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide
PubChem CID65107691
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide
SMILESCCC(C)(O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-3-12(2,16)8-14-11(15)9-4-6-10(13)7-5-9/h4-7,16H,3,8H2,1-2H3,(H,14,15)
InChIKeyRUMIEHVBHMKKPY-UHFFFAOYSA-N
XLogP1.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240357
N-(2-hydroxy-2-methylbutyl)-4-methylbenzamide
CID 65109665
4-[(4-fluorobenzoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66000907
4-bromo-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65111325
4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103712736
N-[2-(bromomethyl)-2-ethylbutyl]-4-fluorobenzamide
CID 114164806
N-(2-hydroxy-2-methylbutyl)-4-propan-2-yloxybenzamide
CID 65114317
4-fluoro-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide
CID 81003078
3-(4-fluorophenyl)-N-(2-hydroxy-2-methylbutyl)prop-2-enamide
CID 77056546
3,5-dibromo-N-(2-hydroxy-2-methylbutyl)benzamide
CID 103908910
4-bromo-N-[2-[(2-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide
CID 65114999
N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 65106509

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide?
The IUPAC name of 4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide (CID 65107691) is 4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide?
The canonical SMILES for 4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide is CCC(C)(O)CNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide?
The InChIKey is RUMIEHVBHMKKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-3-12(2,16)8-14-11(15)9-4-6-10(13)7-5-9/h4-7,16H,3,8H2,1-2H3,(H,14,15).
What are the key properties of 4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide?
4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide has a molecular weight of 225.26 g/mol, XLogP of 1.72, 4 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-methylbutyl)benzamide is sourced from PubChem (CID 65107691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).