3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide

C13H14F3NO2 — CID 63186841

IUPAC3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
SMILESO=C(NC1(CO)CCCC1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H14F3NO2/c14-9-5-8(6-10(15)11(9)16)12(19)17-13(7-18)3-1-2-4-13/h5-6,18H,1-4,7H2,(H,17,19)
InChIKeyJRXWVWVHQOMTOO-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.14
Rot. Bonds3

About 3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide

3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide (PubChem CID 63186841) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
PubChem CID63186841
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
SMILESO=C(NC1(CO)CCCC1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H14F3NO2/c14-9-5-8(6-10(15)11(9)16)12(19)17-13(7-18)3-1-2-4-13/h5-6,18H,1-4,7H2,(H,17,19)
InChIKeyJRXWVWVHQOMTOO-UHFFFAOYSA-N
XLogP2.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 63186883
3,4-difluoro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878348
1-[1-(hydroxymethyl)cyclopentyl]-3-(3,4,5-trifluorophenyl)urea
CID 111926557
3-bromo-5-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081283
3-chloro-5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 122569574
3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62524113
3,5-difluoro-N-[1-(hydroxymethyl)cyclohexyl]-4-prop-2-ynoxybenzamide
CID 87365069
4-amino-3,5-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 82833008
4-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
CID 115878206
5-amino-2,4-difluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62523774
N-[1-(chloromethyl)-3-methylcyclohexyl]-3,4,5-trifluorobenzamide
CID 114304031
4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-3-nitrobenzamide
CID 62517569

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The IUPAC name of 3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide (CID 63186841) is 3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide.
What is the SMILES notation for 3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The canonical SMILES for 3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide is O=C(NC1(CO)CCCC1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The InChIKey is JRXWVWVHQOMTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c14-9-5-8(6-10(15)11(9)16)12(19)17-13(7-18)3-1-2-4-13/h5-6,18H,1-4,7H2,(H,17,19).
What are the key properties of 3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide has a molecular weight of 273.25 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide is sourced from PubChem (CID 63186841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).