N-cyclohexyl-2,2,2-trifluoro-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide

C13H20F4N2O — CID 162549311

IUPACN-cyclohexyl-2,2,2-trifluoro-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide
SMILESO=C(N(C[C@@H]1C[C@H](F)CN1)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C13H20F4N2O/c14-9-6-10(18-7-9)8-19(12(20)13(15,16)17)11-4-2-1-3-5-11/h9-11,18H,1-8H2/t9-,10-/m0/s1
InChIKeyVPDKTXYRUJFAJS-UWVGGRQHSA-N
MW296.31 g/mol
LogP2.41
Rot. Bonds3

About N-cyclohexyl-2,2,2-trifluoro-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide

N-cyclohexyl-2,2,2-trifluoro-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide (PubChem CID 162549311) has the molecular formula C13H20F4N2O and a molecular weight of 296.31 g/mol. Its IUPAC name is N-cyclohexyl-2,2,2-trifluoro-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2,2,2-trifluoro-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide
PubChem CID162549311
Molecular FormulaC13H20F4N2O
Molecular Weight296.31 g/mol
Exact Mass296.15
IUPAC NameN-cyclohexyl-2,2,2-trifluoro-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide
SMILESO=C(N(C[C@@H]1C[C@H](F)CN1)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C13H20F4N2O/c14-9-6-10(18-7-9)8-19(12(20)13(15,16)17)11-4-2-1-3-5-11/h9-11,18H,1-8H2/t9-,10-/m0/s1
InChIKeyVPDKTXYRUJFAJS-UWVGGRQHSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclohexyl-2,2,2-trifluoro-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide 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

N-cyclohexyl-2,2,2-trifluoro-N-hydroxyacetamide
CID 10262560
tert-butyl N-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 103098260
N-cyclohexyl-2,2,2-trifluoro-N-(2-phenylethyl)acetamide
CID 563302
N-cyclopentyl-2,2,2-trifluoro-N-methylacetamide
CID 63374781
(2R)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]azetidine-2-carboxamide
CID 130608654
(2S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 176638921
N-cyclopentyl-2,2,3,3,3-pentafluoro-N-(2-hydroxyethyl)propanamide
CID 114037858
N,N-dicyclohexyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 71672505
N-cyclopentyl-N-ethyl-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908640
2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-2-methylpropanamide
CID 61264857
2-(aminomethyl)-N-(cyclohexylmethyl)-N-cyclopropyl-2-ethylbutanamide
CID 115432159
2-[carboxy(cyclohexyl)amino]ethyl-cyclohexylcarbamic acid
CID 70554590

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,2,2-trifluoro-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of N-cyclohexyl-2,2,2-trifluoro-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide (CID 162549311) is N-cyclohexyl-2,2,2-trifluoro-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2,2,2-trifluoro-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for N-cyclohexyl-2,2,2-trifluoro-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide is O=C(N(C[C@@H]1C[C@H](F)CN1)C1CCCCC1)C(F)(F)F.
What is the InChIKey of N-cyclohexyl-2,2,2-trifluoro-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide?
The InChIKey is VPDKTXYRUJFAJS-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H20F4N2O/c14-9-6-10(18-7-9)8-19(12(20)13(15,16)17)11-4-2-1-3-5-11/h9-11,18H,1-8H2/t9-,10-/m0/s1.
What are the key properties of N-cyclohexyl-2,2,2-trifluoro-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide?
N-cyclohexyl-2,2,2-trifluoro-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide has a molecular weight of 296.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,2,2-trifluoro-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 162549311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).