4-fluoro-N-(5-hydroxypentyl)benzamide

C12H16FNO2 — CID 107317186

IUPAC4-fluoro-N-(5-hydroxypentyl)benzamide
SMILESO=C(NCCCCCO)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c13-11-6-4-10(5-7-11)12(16)14-8-2-1-3-9-15/h4-7,15H,1-3,8-9H2,(H,14,16)
InChIKeyMDYIGHUBUFVIQI-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.72
Rot. Bonds6

About 4-fluoro-N-(5-hydroxypentyl)benzamide

4-fluoro-N-(5-hydroxypentyl)benzamide (PubChem CID 107317186) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 4-fluoro-N-(5-hydroxypentyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(5-hydroxypentyl)benzamide
PubChem CID107317186
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name4-fluoro-N-(5-hydroxypentyl)benzamide
SMILESO=C(NCCCCCO)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c13-11-6-4-10(5-7-11)12(16)14-8-2-1-3-9-15/h4-7,15H,1-3,8-9H2,(H,14,16)
InChIKeyMDYIGHUBUFVIQI-UHFFFAOYSA-N
XLogP1.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
4-chloro-N-(5-hydroxypentyl)benzamide
CID 107318437
5-[3,5-bis[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]-1-N,3-N-bis(6-hydroxyhexyl)benzene-1,3-dicarboxamide
CID 100967196
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
4-fluoro-N-(5-hydroxypentyl)-3-methylbenzamide
CID 107317159
4-fluoro-N-(6-hydroxyhexyl)-3-sulfanylbenzamide
CID 114009456
4-fluoro-N-(2-fluoroethyl)benzamide
CID 130478179
N-(6-hydroxyhexyl)-4-(methylsulfanylmethyl)benzamide
CID 103919178
5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide
CID 103919616
4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide
CID 106841516
4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862038
4-fluoro-N-(3-methylsulfonylpropyl)benzamide
CID 60859209

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(5-hydroxypentyl)benzamide?
The IUPAC name of 4-fluoro-N-(5-hydroxypentyl)benzamide (CID 107317186) is 4-fluoro-N-(5-hydroxypentyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(5-hydroxypentyl)benzamide?
The canonical SMILES for 4-fluoro-N-(5-hydroxypentyl)benzamide is O=C(NCCCCCO)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(5-hydroxypentyl)benzamide?
The InChIKey is MDYIGHUBUFVIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c13-11-6-4-10(5-7-11)12(16)14-8-2-1-3-9-15/h4-7,15H,1-3,8-9H2,(H,14,16).
What are the key properties of 4-fluoro-N-(5-hydroxypentyl)benzamide?
4-fluoro-N-(5-hydroxypentyl)benzamide has a molecular weight of 225.26 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(5-hydroxypentyl)benzamide is sourced from PubChem (CID 107317186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).