3-[[2-(trifluoromethyl)cyclohexyl]amino]azepan-2-one

C13H21F3N2O — CID 64757861

IUPAC3-[[2-(trifluoromethyl)cyclohexyl]amino]azepan-2-one
SMILESO=C1NCCCCC1NC1CCCCC1C(F)(F)F
InChIInChI=1S/C13H21F3N2O/c14-13(15,16)9-5-1-2-6-10(9)18-11-7-3-4-8-17-12(11)19/h9-11,18H,1-8H2,(H,17,19)
InChIKeyNGSOXZYELMVWKN-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.37
Rot. Bonds2

About 3-[[2-(trifluoromethyl)cyclohexyl]amino]azepan-2-one

3-[[2-(trifluoromethyl)cyclohexyl]amino]azepan-2-one (PubChem CID 64757861) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is 3-[[2-(trifluoromethyl)cyclohexyl]amino]azepan-2-one.

Molecular Properties

Compound Name3-[[2-(trifluoromethyl)cyclohexyl]amino]azepan-2-one
PubChem CID64757861
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name3-[[2-(trifluoromethyl)cyclohexyl]amino]azepan-2-one
SMILESO=C1NCCCCC1NC1CCCCC1C(F)(F)F
InChIInChI=1S/C13H21F3N2O/c14-13(15,16)9-5-1-2-6-10(9)18-11-7-3-4-8-17-12(11)19/h9-11,18H,1-8H2,(H,17,19)
InChIKeyNGSOXZYELMVWKN-UHFFFAOYSA-N
XLogP2.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[2-(trifluoromethyl)cyclohexyl]amino]azepan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-cyclohexylcyclopropyl)amino]azepan-2-one
CID 141374332
3-[(1-methylazetidin-3-yl)amino]azepan-2-one
CID 127013470
3-(1-azabicyclo[3.2.1]octan-4-ylamino)azepan-2-one
CID 105363996
(3S)-3-[[(1R,2R)-2,4,4-trimethylcyclopentyl]amino]azepan-2-one
CID 124829255
(3S)-3-(pyrimidin-2-ylamino)azepan-2-one
CID 40506869
3-(2,3-dihydro-1H-inden-2-ylamino)azepan-2-one
CID 3844156
3-[(2-pyrrolidin-2-ylcyclopentyl)amino]piperidin-2-one
CID 79543600
3-[(1,1-dioxothian-3-yl)amino]azepan-2-one
CID 63910098
3-(3,3,3-trifluoropropylamino)piperidin-2-one
CID 64554624
3-(4-fluoroanilino)azepan-2-one
CID 42940986
(3R)-3-[4-(2,2,2-trifluoroethoxy)anilino]azepan-2-one
CID 51982995
2,2,3,3,4,4,4-heptafluoro-N-(2-oxoazepan-3-yl)butanamide
CID 122206979

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(trifluoromethyl)cyclohexyl]amino]azepan-2-one?
The IUPAC name of 3-[[2-(trifluoromethyl)cyclohexyl]amino]azepan-2-one (CID 64757861) is 3-[[2-(trifluoromethyl)cyclohexyl]amino]azepan-2-one.
What is the SMILES notation for 3-[[2-(trifluoromethyl)cyclohexyl]amino]azepan-2-one?
The canonical SMILES for 3-[[2-(trifluoromethyl)cyclohexyl]amino]azepan-2-one is O=C1NCCCCC1NC1CCCCC1C(F)(F)F.
What is the InChIKey of 3-[[2-(trifluoromethyl)cyclohexyl]amino]azepan-2-one?
The InChIKey is NGSOXZYELMVWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c14-13(15,16)9-5-1-2-6-10(9)18-11-7-3-4-8-17-12(11)19/h9-11,18H,1-8H2,(H,17,19).
What are the key properties of 3-[[2-(trifluoromethyl)cyclohexyl]amino]azepan-2-one?
3-[[2-(trifluoromethyl)cyclohexyl]amino]azepan-2-one has a molecular weight of 278.32 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(trifluoromethyl)cyclohexyl]amino]azepan-2-one is sourced from PubChem (CID 64757861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).