N-[(2-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide

C14H17F3N2O — CID 79756556

IUPACN-[(2-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide
SMILESNC1CCCCC1CNC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H17F3N2O/c15-10-6-5-9(12(16)13(10)17)14(20)19-7-8-3-1-2-4-11(8)18/h5-6,8,11H,1-4,7,18H2,(H,19,20)
InChIKeyZPBIPJHYHLXFCC-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.35
Rot. Bonds3

About N-[(2-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide

N-[(2-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide (PubChem CID 79756556) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is N-[(2-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-[(2-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide
PubChem CID79756556
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC NameN-[(2-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide
SMILESNC1CCCCC1CNC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H17F3N2O/c15-10-6-5-9(12(16)13(10)17)14(20)19-7-8-3-1-2-4-11(8)18/h5-6,8,11H,1-4,7,18H2,(H,19,20)
InChIKeyZPBIPJHYHLXFCC-UHFFFAOYSA-N
XLogP2.35
TPSA55.12 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 ≤ 52.35
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-[[2-(bromomethyl)cyclopentyl]methyl]-2,3,4-trifluorobenzamide
CID 114317137
2-[[(2,3,4-trifluorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 79757270
N-[(4-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide
CID 106124628
N-[(2-aminocyclohexyl)methyl]-2-fluoro-5-methylbenzamide
CID 64929794
N-[(2-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 64928415
N-[(2-aminocyclohexyl)methyl]-3,4-difluorobenzamide
CID 64928823
2,3,4-trifluoro-N-(piperidin-2-ylmethyl)benzamide
CID 79749991
2,3-difluoro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 62660422
N-[(2-aminocyclohexyl)methyl]naphthalene-1-carboxamide
CID 64928625
2,3,6-trifluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]benzamide
CID 99855973
N-[2-(aminomethyl)cyclopentyl]-2,3,4-trifluorobenzamide
CID 79749551
2,3,4-trifluoro-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564595

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide?
The IUPAC name of N-[(2-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide (CID 79756556) is N-[(2-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-[(2-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide?
The canonical SMILES for N-[(2-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide is NC1CCCCC1CNC(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of N-[(2-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide?
The InChIKey is ZPBIPJHYHLXFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-10-6-5-9(12(16)13(10)17)14(20)19-7-8-3-1-2-4-11(8)18/h5-6,8,11H,1-4,7,18H2,(H,19,20).
What are the key properties of N-[(2-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide?
N-[(2-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide has a molecular weight of 286.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide is sourced from PubChem (CID 79756556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).