3-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzamide

C14H18FNO2 — CID 113254997

IUPAC3-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCC2CO)cc1F
InChIInChI=1S/C14H18FNO2/c1-9-5-6-10(7-12(9)15)14(18)16-13-4-2-3-11(13)8-17/h5-7,11,13,17H,2-4,8H2,1H3,(H,16,18)
InChIKeyCGKDVYDRQICFOA-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.02
Rot. Bonds3

About 3-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzamide

3-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzamide (PubChem CID 113254997) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzamide
PubChem CID113254997
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name3-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCC2CO)cc1F
InChIInChI=1S/C14H18FNO2/c1-9-5-6-10(7-12(9)15)14(18)16-13-4-2-3-11(13)8-17/h5-7,11,13,17H,2-4,8H2,1H3,(H,16,18)
InChIKeyCGKDVYDRQICFOA-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminocyclohexyl)-3-fluoro-4-methylbenzamide
CID 61038354
N-(2-bromocyclohexyl)-3-fluoro-4-methylbenzamide
CID 113275063
4-fluoro-N-[(1R,2R)-2-(hydroxymethyl)cycloheptyl]-3-methoxybenzamide
CID 99776479
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
N-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide
CID 106366034
3-chloro-4-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113339750
4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113266858
N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide
CID 103798546
4-amino-N-(2-ethylcyclohexyl)-3-fluorobenzamide
CID 62680797
3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032533
3-fluoro-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide
CID 104826148
4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide
CID 103798607

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzamide?
The IUPAC name of 3-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzamide (CID 113254997) is 3-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CCCC2CO)cc1F.
What is the InChIKey of 3-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzamide?
The InChIKey is CGKDVYDRQICFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-9-5-6-10(7-12(9)15)14(18)16-13-4-2-3-11(13)8-17/h5-7,11,13,17H,2-4,8H2,1H3,(H,16,18).
What are the key properties of 3-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzamide?
3-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzamide has a molecular weight of 251.30 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzamide is sourced from PubChem (CID 113254997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).