1-phenyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide

C18H23F3N2O — CID 138002411

IUPAC1-phenyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
SMILESO=C(N[C@H]1CCCC[C@H]1C(F)(F)F)C1CCN(c2ccccc2)C1
InChIInChI=1S/C18H23F3N2O/c19-18(20,21)15-8-4-5-9-16(15)22-17(24)13-10-11-23(12-13)14-6-2-1-3-7-14/h1-3,6-7,13,15-16H,4-5,8-12H2,(H,22,24)/t13?,15-,16+/m1/s1
InChIKeyAYOMIILLGQWRHC-CZVYVAOFSA-N
MW340.39 g/mol
LogP3.75
Rot. Bonds3

About 1-phenyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide

1-phenyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide (PubChem CID 138002411) has the molecular formula C18H23F3N2O and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-phenyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
PubChem CID138002411
Molecular FormulaC18H23F3N2O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name1-phenyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
SMILESO=C(N[C@H]1CCCC[C@H]1C(F)(F)F)C1CCN(c2ccccc2)C1
InChIInChI=1S/C18H23F3N2O/c19-18(20,21)15-8-4-5-9-16(15)22-17(24)13-10-11-23(12-13)14-6-2-1-3-7-14/h1-3,6-7,13,15-16H,4-5,8-12H2,(H,22,24)/t13?,15-,16+/m1/s1
InChIKeyAYOMIILLGQWRHC-CZVYVAOFSA-N
XLogP3.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-phenyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide (CID 138002411) is 1-phenyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-phenyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-phenyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide is O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)C1CCN(c2ccccc2)C1.
What is the InChIKey of 1-phenyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide?
The InChIKey is AYOMIILLGQWRHC-CZVYVAOFSA-N. The full InChI is InChI=1S/C18H23F3N2O/c19-18(20,21)15-8-4-5-9-16(15)22-17(24)13-10-11-23(12-13)14-6-2-1-3-7-14/h1-3,6-7,13,15-16H,4-5,8-12H2,(H,22,24)/t13?,15-,16+/m1/s1.
What are the key properties of 1-phenyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide?
1-phenyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 138002411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).