2-ethyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide

C20H27F3N2O — CID 51001073

IUPAC2-ethyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide
SMILESCCc1cc(C(F)(F)F)ccc1C(=O)N[C@@H]1CCCC[C@@H]1N1CCCC1
InChIInChI=1S/C20H27F3N2O/c1-2-14-13-15(20(21,22)23)9-10-16(14)19(26)24-17-7-3-4-8-18(17)25-11-5-6-12-25/h9-10,13,17-18H,2-8,11-12H2,1H3,(H,24,26)/t17-,18+/m1/s1
InChIKeyVDAGRLZAUOLEMS-MSOLQXFVSA-N
MW368.44 g/mol
LogP4.40
Rot. Bonds4

About 2-ethyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide

2-ethyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide (PubChem CID 51001073) has the molecular formula C20H27F3N2O and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-ethyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-ethyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide
PubChem CID51001073
Molecular FormulaC20H27F3N2O
Molecular Weight368.44 g/mol
Exact Mass368.21
IUPAC Name2-ethyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide
SMILESCCc1cc(C(F)(F)F)ccc1C(=O)N[C@@H]1CCCC[C@@H]1N1CCCC1
InChIInChI=1S/C20H27F3N2O/c1-2-14-13-15(20(21,22)23)9-10-16(14)19(26)24-17-7-3-4-8-18(17)25-11-5-6-12-25/h9-10,13,17-18H,2-8,11-12H2,1H3,(H,24,26)/t17-,18+/m1/s1
InChIKeyVDAGRLZAUOLEMS-MSOLQXFVSA-N
XLogP4.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-ethyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide (CID 51001073) is 2-ethyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-ethyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-ethyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide is CCc1cc(C(F)(F)F)ccc1C(=O)N[C@@H]1CCCC[C@@H]1N1CCCC1.
What is the InChIKey of 2-ethyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide?
The InChIKey is VDAGRLZAUOLEMS-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H27F3N2O/c1-2-14-13-15(20(21,22)23)9-10-16(14)19(26)24-17-7-3-4-8-18(17)25-11-5-6-12-25/h9-10,13,17-18H,2-8,11-12H2,1H3,(H,24,26)/t17-,18+/m1/s1.
What are the key properties of 2-ethyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide?
2-ethyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide has a molecular weight of 368.44 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 51001073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).