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

C14H16F3NO2 — CID 63186883

IUPAC3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
SMILESO=C(NC1(CO)CCCCC1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H16F3NO2/c15-10-6-9(7-11(16)12(10)17)13(20)18-14(8-19)4-2-1-3-5-14/h6-7,19H,1-5,8H2,(H,18,20)
InChIKeyCUGYYNMSPFXUFB-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.53
Rot. Bonds3

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

3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide (PubChem CID 63186883) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
PubChem CID63186883
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
SMILESO=C(NC1(CO)CCCCC1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H16F3NO2/c15-10-6-9(7-11(16)12(10)17)13(20)18-14(8-19)4-2-1-3-5-14/h6-7,19H,1-5,8H2,(H,18,20)
InChIKeyCUGYYNMSPFXUFB-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
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)cyclopentyl]benzamide
CID 63186841
3,4-difluoro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878348
3-chloro-5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 122569574
3,5-difluoro-N-[1-(hydroxymethyl)cyclohexyl]-4-prop-2-ynoxybenzamide
CID 87365069
1-[1-(hydroxymethyl)cyclopentyl]-3-(3,4,5-trifluorophenyl)urea
CID 111926557
3-bromo-5-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081283
3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62524113
5-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 62522163
5-amino-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 62527413
4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]-3-nitrobenzamide
CID 62520955
4-amino-3,5-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 82833008
4-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
CID 115878206

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide?
The IUPAC name of 3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide (CID 63186883) is 3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide.
What is the SMILES notation for 3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide?
The canonical SMILES for 3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide is O=C(NC1(CO)CCCCC1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide?
The InChIKey is CUGYYNMSPFXUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c15-10-6-9(7-11(16)12(10)17)13(20)18-14(8-19)4-2-1-3-5-14/h6-7,19H,1-5,8H2,(H,18,20).
What are the key properties of 3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide?
3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide has a molecular weight of 287.28 g/mol, XLogP of 2.53, 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)cyclohexyl]benzamide is sourced from PubChem (CID 63186883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).