(3R)-N-(1-cyanocyclohexyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C19H20F3N3O2 — CID 97011463

IUPAC(3R)-N-(1-cyanocyclohexyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESN#CC1(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CCCCC1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)14-5-4-6-15(10-14)25-11-13(9-16(25)26)17(27)24-18(12-23)7-2-1-3-8-18/h4-6,10,13H,1-3,7-9,11H2,(H,24,27)/t13-/m1/s1
InChIKeyUMVBSEMYHCJQJM-CYBMUJFWSA-N
MW379.38 g/mol
LogP3.40
Rot. Bonds3

About (3R)-N-(1-cyanocyclohexyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

(3R)-N-(1-cyanocyclohexyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 97011463) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is (3R)-N-(1-cyanocyclohexyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1-cyanocyclohexyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID97011463
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name(3R)-N-(1-cyanocyclohexyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESN#CC1(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CCCCC1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)14-5-4-6-15(10-14)25-11-13(9-16(25)26)17(27)24-18(12-23)7-2-1-3-8-18/h4-6,10,13H,1-3,7-9,11H2,(H,24,27)/t13-/m1/s1
InChIKeyUMVBSEMYHCJQJM-CYBMUJFWSA-N
XLogP3.40
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(1-cyanocyclopentyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 95576803
(3R)-N-(1-cyanocyclopentyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 95576802
N-(1-cyanocyclopentyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 56797035
1-(1,3-benzodioxol-5-yl)-N-(1-cyanocyclopentyl)-5-oxopyrrolidine-3-carboxamide
CID 154774723
5-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46789600
N-(3,4-difluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188669
(3S)-N-(4-cyanooxan-4-yl)-1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124563530
(3R)-1-(3-acetamidophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 92719769
(3S)-1-(3-chlorophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 9004872
N-(2-methylsulfanylphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46806850
N-[(4-chlorophenyl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188634
5-oxo-N-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 17456684

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1-cyanocyclohexyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(1-cyanocyclohexyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 97011463) is (3R)-N-(1-cyanocyclohexyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(1-cyanocyclohexyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(1-cyanocyclohexyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is N#CC1(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CCCCC1.
What is the InChIKey of (3R)-N-(1-cyanocyclohexyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is UMVBSEMYHCJQJM-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c20-19(21,22)14-5-4-6-15(10-14)25-11-13(9-16(25)26)17(27)24-18(12-23)7-2-1-3-8-18/h4-6,10,13H,1-3,7-9,11H2,(H,24,27)/t13-/m1/s1.
What are the key properties of (3R)-N-(1-cyanocyclohexyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
(3R)-N-(1-cyanocyclohexyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 379.38 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1-cyanocyclohexyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 97011463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).