(2S)-N-cyclohexyl-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide

C19H23F3N2O2 — CID 110285809

IUPAC(2S)-N-cyclohexyl-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H23F3N2O2/c20-19(21,22)14-10-8-13(9-11-14)18(26)24-12-4-7-16(24)17(25)23-15-5-2-1-3-6-15/h8-11,15-16H,1-7,12H2,(H,23,25)/t16-/m0/s1
InChIKeyAOFZLKLJLWLIPT-INIZCTEOSA-N
MW368.40 g/mol
LogP3.76
Rot. Bonds3

About (2S)-N-cyclohexyl-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide

(2S)-N-cyclohexyl-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide (PubChem CID 110285809) has the molecular formula C19H23F3N2O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide
PubChem CID110285809
Molecular FormulaC19H23F3N2O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC Name(2S)-N-cyclohexyl-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H23F3N2O2/c20-19(21,22)14-10-8-13(9-11-14)18(26)24-12-4-7-16(24)17(25)23-15-5-2-1-3-6-15/h8-11,15-16H,1-7,12H2,(H,23,25)/t16-/m0/s1
InChIKeyAOFZLKLJLWLIPT-INIZCTEOSA-N
XLogP3.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide
CID 53015958
N-cyclopropyl-1-[4-(trifluoromethoxy)benzoyl]pyrrolidine-2-carboxamide
CID 86924377
(2S)-N-cyclohexyl-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxamide
CID 10315888
methyl (2R)-1-[4-(trifluoromethyl)benzoyl]piperidine-2-carboxylate
CID 25465302
N-cyclopentyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26017391
N-cyclopropyl-1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 63979920
(2R)-N-cyclopropyl-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxamide
CID 94061711
N-cyclopentyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110343831
N-cyclopropyl-1-(2-fluoropyridine-4-carbonyl)pyrrolidine-2-carboxamide
CID 61293291
(2S)-N-cyclohexyl-1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide
CID 110305765
2-N-cyclopropyl-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-1,2-dicarboxamide
CID 112835151
2-(1-benzoylpyrrolidin-2-yl)-N-cyclohexyl-2-oxoacetamide
CID 67878467

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-cyclohexyl-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide (CID 110285809) is (2S)-N-cyclohexyl-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclohexyl-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclohexyl-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide is O=C(NC1CCCCC1)[C@@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2S)-N-cyclohexyl-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is AOFZLKLJLWLIPT-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23F3N2O2/c20-19(21,22)14-10-8-13(9-11-14)18(26)24-12-4-7-16(24)17(25)23-15-5-2-1-3-6-15/h8-11,15-16H,1-7,12H2,(H,23,25)/t16-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide?
(2S)-N-cyclohexyl-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 368.40 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110285809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).