3,4,5-trifluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide

C14H16F3NO2 — CID 64910898

IUPAC3,4,5-trifluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
SMILESO=C(NCC1CCCCC1O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H16F3NO2/c15-10-5-9(6-11(16)13(10)17)14(20)18-7-8-3-1-2-4-12(8)19/h5-6,8,12,19H,1-4,7H2,(H,18,20)
InChIKeyFAWJENFIZRTSGH-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.38
Rot. Bonds3

About 3,4,5-trifluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide

3,4,5-trifluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide (PubChem CID 64910898) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
PubChem CID64910898
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name3,4,5-trifluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
SMILESO=C(NCC1CCCCC1O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H16F3NO2/c15-10-5-9(6-11(16)13(10)17)14(20)18-7-8-3-1-2-4-12(8)19/h5-6,8,12,19H,1-4,7H2,(H,18,20)
InChIKeyFAWJENFIZRTSGH-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
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-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 113244888
4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 13427946
2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64928717
2,3,6-trifluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]benzamide
CID 99855973
N-[(2-hydroxycyclohexyl)methyl]-4-sulfanylbenzamide
CID 107031044
3-amino-2,5-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 107121147
3-amino-2,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 79773461
N-[(4-ethylcyclohexyl)methyl]-3,4,5-trifluorobenzamide
CID 63482414
3,4,5-trifluoro-N-(oxan-4-ylmethyl)benzamide
CID 63235633
N-[(2-aminocyclohexyl)methyl]-3,4-difluorobenzamide
CID 64928823
3,5-difluoro-4-[(2-hydroxycyclohexyl)methylamino]benzoic acid
CID 64910671
3,4,5-trifluoro-N-(oxan-3-ylmethyl)benzamide
CID 55159260

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide?
The IUPAC name of 3,4,5-trifluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide (CID 64910898) is 3,4,5-trifluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide.
What is the SMILES notation for 3,4,5-trifluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide?
The canonical SMILES for 3,4,5-trifluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide is O=C(NCC1CCCCC1O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 3,4,5-trifluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide?
The InChIKey is FAWJENFIZRTSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c15-10-5-9(6-11(16)13(10)17)14(20)18-7-8-3-1-2-4-12(8)19/h5-6,8,12,19H,1-4,7H2,(H,18,20).
What are the key properties of 3,4,5-trifluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide?
3,4,5-trifluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide has a molecular weight of 287.28 g/mol, XLogP of 2.38, 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-[(2-hydroxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 64910898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).