N-(2-amino-1-cyclohexylethyl)-2,4,6-trifluorobenzamide

C15H19F3N2O — CID 81487271

IUPACN-(2-amino-1-cyclohexylethyl)-2,4,6-trifluorobenzamide
SMILESNCC(NC(=O)c1c(F)cc(F)cc1F)C1CCCCC1
InChIInChI=1S/C15H19F3N2O/c16-10-6-11(17)14(12(18)7-10)15(21)20-13(8-19)9-4-2-1-3-5-9/h6-7,9,13H,1-5,8,19H2,(H,20,21)
InChIKeyRUDUGVKRJGMZFC-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.74
Rot. Bonds4

About N-(2-amino-1-cyclohexylethyl)-2,4,6-trifluorobenzamide

N-(2-amino-1-cyclohexylethyl)-2,4,6-trifluorobenzamide (PubChem CID 81487271) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2,4,6-trifluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2,4,6-trifluorobenzamide
PubChem CID81487271
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2,4,6-trifluorobenzamide
SMILESNCC(NC(=O)c1c(F)cc(F)cc1F)C1CCCCC1
InChIInChI=1S/C15H19F3N2O/c16-10-6-11(17)14(12(18)7-10)15(21)20-13(8-19)9-4-2-1-3-5-9/h6-7,9,13H,1-5,8,19H2,(H,20,21)
InChIKeyRUDUGVKRJGMZFC-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-1-cyclopentylethyl)-4-bromo-2,6-difluorobenzamide
CID 106737293
N-(2-amino-1-cyclohexylethyl)-2-fluoro-6-iodobenzamide;hydrochloride
CID 119592223
N-(2-amino-1-cyclohexylethyl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride
CID 119590226
N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-carboxamide;dihydrochloride
CID 119589722
N-(2-amino-1-cyclohexylethyl)-2-bromo-4-fluorobenzamide
CID 81486052
N-(2-amino-1-cyclopentylethyl)-4-fluoro-2-methylbenzamide
CID 106737696
N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide
CID 107973523
5-acetamido-N-(2-amino-1-cyclohexylethyl)-2-fluorobenzamide
CID 119589312
N-(2-amino-1-cyclohexylethyl)-2,5-dibromothiophene-3-carboxamide
CID 103807076
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]-2,4-difluorobenzamide
CID 119590822
N-(2-amino-1-cyclohexylethyl)-2,4,5-trimethylfuran-3-carboxamide
CID 81485921
N-(2-amino-1-cyclopropylethyl)-3-bromo-5-fluorobenzamide
CID 65188915

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2,4,6-trifluorobenzamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2,4,6-trifluorobenzamide (CID 81487271) is N-(2-amino-1-cyclohexylethyl)-2,4,6-trifluorobenzamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2,4,6-trifluorobenzamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2,4,6-trifluorobenzamide is NCC(NC(=O)c1c(F)cc(F)cc1F)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2,4,6-trifluorobenzamide?
The InChIKey is RUDUGVKRJGMZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c16-10-6-11(17)14(12(18)7-10)15(21)20-13(8-19)9-4-2-1-3-5-9/h6-7,9,13H,1-5,8,19H2,(H,20,21).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2,4,6-trifluorobenzamide?
N-(2-amino-1-cyclohexylethyl)-2,4,6-trifluorobenzamide has a molecular weight of 300.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2,4,6-trifluorobenzamide is sourced from PubChem (CID 81487271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).