3-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methylbenzamide

C14H20FNO2 — CID 62517240

IUPAC3-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methylbenzamide
SMILESCCC(CC)(CO)NC(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C14H20FNO2/c1-4-14(5-2,9-17)16-13(18)11-7-6-10(3)12(15)8-11/h6-8,17H,4-5,9H2,1-3H3,(H,16,18)
InChIKeyGWLXAZLIUCKHTE-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.42
Rot. Bonds5

About 3-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methylbenzamide

3-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methylbenzamide (PubChem CID 62517240) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 3-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methylbenzamide
PubChem CID62517240
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name3-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methylbenzamide
SMILESCCC(CC)(CO)NC(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C14H20FNO2/c1-4-14(5-2,9-17)16-13(18)11-7-6-10(3)12(15)8-11/h6-8,17H,4-5,9H2,1-3H3,(H,16,18)
InChIKeyGWLXAZLIUCKHTE-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-bromo-2-methylbutan-2-yl)-3-fluoro-4-methylbenzamide
CID 114314455
2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-4-carboxamide
CID 62517986
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-fluoro-3-methylbenzamide
CID 114010919
3-fluoro-N-(1-hydroxy-2-phenylpropan-2-yl)-4-methylbenzamide
CID 105058932
3-chloro-4-hydroxy-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 62517786
5-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbenzamide
CID 113434986
3-bromo-N-(3-ethylpentan-3-yl)-4-fluorobenzamide
CID 113244906
N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 55209778
N-(3-ethylpentan-3-yl)-3-fluoro-4-nitrobenzamide
CID 65038833
4-bromo-3-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 81295658
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-hydroxy-3-methylbenzamide
CID 114008304
N-[1-bromo-2-(bromomethyl)butan-2-yl]-3-hydroxy-4-methylbenzamide
CID 107867926

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methylbenzamide?
The IUPAC name of 3-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methylbenzamide (CID 62517240) is 3-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methylbenzamide is CCC(CC)(CO)NC(=O)c1ccc(C)c(F)c1.
What is the InChIKey of 3-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methylbenzamide?
The InChIKey is GWLXAZLIUCKHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-4-14(5-2,9-17)16-13(18)11-7-6-10(3)12(15)8-11/h6-8,17H,4-5,9H2,1-3H3,(H,16,18).
What are the key properties of 3-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methylbenzamide?
3-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methylbenzamide has a molecular weight of 253.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methylbenzamide is sourced from PubChem (CID 62517240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).