N-[2-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)benzamide

C14H16F3NO2 — CID 103751525

IUPACN-[2-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NC1CCCC1CO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)11-5-1-3-9(7-11)13(20)18-12-6-2-4-10(12)8-19/h1,3,5,7,10,12,19H,2,4,6,8H2,(H,18,20)
InChIKeyMFJRPLFHHZDRAL-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.60
Rot. Bonds3

About N-[2-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)benzamide

N-[2-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)benzamide (PubChem CID 103751525) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)benzamide
PubChem CID103751525
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC NameN-[2-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NC1CCCC1CO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)11-5-1-3-9(7-11)13(20)18-12-6-2-4-10(12)8-19/h1,3,5,7,10,12,19H,2,4,6,8H2,(H,18,20)
InChIKeyMFJRPLFHHZDRAL-UHFFFAOYSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103798593
N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide
CID 79041877
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
N-[2-[[(1S,2R)-2-[(4-chlorobenzoyl)amino]cyclopentyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 10139931
N-[2-[[(1S,2S)-2-[(4-iodobenzoyl)amino]cyclopentyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 142158591
N-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide
CID 106367297
N-[2-[[(1S,2S)-2-aminocyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 24801692
3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 66030146
3-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzamide
CID 113254997
N-[2-(hydroxymethyl)cyclohexyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 103860508
N-[2-(hydroxymethyl)cyclopentyl]-3H-benzimidazole-5-carboxamide
CID 103856996
N-(3-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 79886276

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)benzamide (CID 103751525) is N-[2-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)benzamide is O=C(NC1CCCC1CO)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)benzamide?
The InChIKey is MFJRPLFHHZDRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c15-14(16,17)11-5-1-3-9(7-11)13(20)18-12-6-2-4-10(12)8-19/h1,3,5,7,10,12,19H,2,4,6,8H2,(H,18,20).
What are the key properties of N-[2-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)benzamide?
N-[2-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)benzamide has a molecular weight of 287.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 103751525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).