2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzamide

C14H17F3N2O — CID 79749208

IUPAC2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzamide
SMILESCNC1CCC(NC(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C14H17F3N2O/c1-18-8-2-4-9(5-3-8)19-14(20)10-6-7-11(15)13(17)12(10)16/h6-9,18H,2-5H2,1H3,(H,19,20)
InChIKeyJIYVKNVOFODWJY-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.36
Rot. Bonds3

About 2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzamide

2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzamide (PubChem CID 79749208) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzamide
PubChem CID79749208
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzamide
SMILESCNC1CCC(NC(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C14H17F3N2O/c1-18-8-2-4-9(5-3-8)19-14(20)10-6-7-11(15)13(17)12(10)16/h6-9,18H,2-5H2,1H3,(H,19,20)
InChIKeyJIYVKNVOFODWJY-UHFFFAOYSA-N
XLogP2.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.36
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

N-cyclopropyl-2,3-difluorobenzamide
CID 62648987
2-fluoro-5-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 62515661
2,3,4-trifluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79749815
2,3,4-trifluoro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451891
N-propan-2-yl-4-[(2,3,4-trifluorobenzoyl)amino]piperidine-1-carboxamide
CID 110822364
2,3,4-trifluoro-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzamide
CID 108556830
2,3,4-trifluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 79749777
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide
CID 108556755
2,3-difluoro-N-(4-methylcycloheptyl)benzamide
CID 102795195
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3,4-trifluorobenzamide
CID 110736909
2,3,4,5-tetrafluoro-N-(3-methylcyclopentyl)benzamide
CID 114549525
2,3-difluoro-N-(thian-4-yl)benzamide
CID 115605205

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzamide (CID 79749208) is 2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzamide is CNC1CCC(NC(=O)c2ccc(F)c(F)c2F)CC1.
What is the InChIKey of 2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzamide?
The InChIKey is JIYVKNVOFODWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-18-8-2-4-9(5-3-8)19-14(20)10-6-7-11(15)13(17)12(10)16/h6-9,18H,2-5H2,1H3,(H,19,20).
What are the key properties of 2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzamide?
2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzamide has a molecular weight of 286.30 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzamide is sourced from PubChem (CID 79749208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).