2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-5-methylbenzamide

C14H18FNO2 — CID 62519508

IUPAC2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC2(CO)CCCC2)c1
InChIInChI=1S/C14H18FNO2/c1-10-4-5-12(15)11(8-10)13(18)16-14(9-17)6-2-3-7-14/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,16,18)
InChIKeyMBGYGEFRUOXHEP-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.17
Rot. Bonds3

About 2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-5-methylbenzamide

2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-5-methylbenzamide (PubChem CID 62519508) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
PubChem CID62519508
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC2(CO)CCCC2)c1
InChIInChI=1S/C14H18FNO2/c1-10-4-5-12(15)11(8-10)13(18)16-14(9-17)6-2-3-7-14/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,16,18)
InChIKeyMBGYGEFRUOXHEP-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(chloromethyl)cyclopentyl]-2-fluoro-5-methylbenzamide
CID 113272385
5-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 62522163
5-amino-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 62527413
4-chloro-N-[1-(hydroxymethyl)cyclopentyl]-2-methylbenzamide
CID 113356724
N-[4-(chloromethyl)oxan-4-yl]-2-fluoro-5-methylbenzamide
CID 114170560
5-amino-2,4-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62523774
4-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
CID 115878206
N-(1-cyanocycloheptyl)-2-fluoro-5-methylbenzamide
CID 62514137
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-fluoro-5-methylbenzamide
CID 63766481
N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide
CID 62520382
2-[1-[(2-hydroxy-5-methylbenzoyl)amino]cyclopentyl]acetic acid
CID 64672001
3,4-difluoro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878348

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-5-methylbenzamide?
The IUPAC name of 2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-5-methylbenzamide (CID 62519508) is 2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-5-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-5-methylbenzamide?
The canonical SMILES for 2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-5-methylbenzamide is Cc1ccc(F)c(C(=O)NC2(CO)CCCC2)c1.
What is the InChIKey of 2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-5-methylbenzamide?
The InChIKey is MBGYGEFRUOXHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-10-4-5-12(15)11(8-10)13(18)16-14(9-17)6-2-3-7-14/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,16,18).
What are the key properties of 2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-5-methylbenzamide?
2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-5-methylbenzamide has a molecular weight of 251.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-5-methylbenzamide is sourced from PubChem (CID 62519508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).