(3R,5S)-N-(3-chlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C19H18ClF3N2O — CID 134808133

IUPAC(3R,5S)-N-(3-chlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCN1C[C@H](C(=O)Nc2cccc(Cl)c2)C[C@H]1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18ClF3N2O/c1-25-11-13(18(26)24-16-7-3-6-15(20)10-16)9-17(25)12-4-2-5-14(8-12)19(21,22)23/h2-8,10,13,17H,9,11H2,1H3,(H,24,26)/t13-,17+/m1/s1
InChIKeyFKTFZJRLJLPGIK-DYVFJYSZSA-N
MW382.81 g/mol
LogP4.99
Rot. Bonds3

About (3R,5S)-N-(3-chlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

(3R,5S)-N-(3-chlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 134808133) has the molecular formula C19H18ClF3N2O and a molecular weight of 382.81 g/mol. Its IUPAC name is (3R,5S)-N-(3-chlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-N-(3-chlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID134808133
Molecular FormulaC19H18ClF3N2O
Molecular Weight382.81 g/mol
Exact Mass382.11
IUPAC Name(3R,5S)-N-(3-chlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCN1C[C@H](C(=O)Nc2cccc(Cl)c2)C[C@H]1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18ClF3N2O/c1-25-11-13(18(26)24-16-7-3-6-15(20)10-16)9-17(25)12-4-2-5-14(8-12)19(21,22)23/h2-8,10,13,17H,9,11H2,1H3,(H,24,26)/t13-,17+/m1/s1
InChIKeyFKTFZJRLJLPGIK-DYVFJYSZSA-N
XLogP4.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 534602
3-[4-[4-(3-Chlorophenyl)piperazin-1-yl]butyl]-5-fluoro-1,3-dihydroindol-2-one
CID 24854105
N-(3-chlorophenyl)-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-5-(trifluoromethyl)benzamide
CID 24884480
N-(3-chlorophenyl)-4-(pyrrolidin-1-yl)-3-(trifluoromethyl)benzamide
CID 25175783
4-(4-Chloro-phenyl)-cyclohexanecarboxylic acid [4-(3-dimethylamino-pyrrolidin-1-yl)-phenyl]-amide
CID 44388293
1-(4-(2-((S)-1-amino-3-methylbutyl)-4-(trifluoromethyl)phenyl)piperazin-1-yl)-3-(4-chlorophenyl)-2-methylpropan-1-one
CID 44415965
N-(4-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide
CID 44548189
N-(3-chlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide
CID 44548370
N-(3,4-dichlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide
CID 44548539
N-(3,5-dichlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide
CID 44548698
N-(3-chlorophenyl)-3-(4-piperidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide
CID 46879386
3-[4-[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-6-fluoro-1,3-dihydroindol-2-one
CID 54758392

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-(3-chlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R,5S)-N-(3-chlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 134808133) is (3R,5S)-N-(3-chlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-N-(3-chlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,5S)-N-(3-chlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is CN1C[C@H](C(=O)Nc2cccc(Cl)c2)C[C@H]1c1cccc(C(F)(F)F)c1.
What is the InChIKey of (3R,5S)-N-(3-chlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is FKTFZJRLJLPGIK-DYVFJYSZSA-N. The full InChI is InChI=1S/C19H18ClF3N2O/c1-25-11-13(18(26)24-16-7-3-6-15(20)10-16)9-17(25)12-4-2-5-14(8-12)19(21,22)23/h2-8,10,13,17H,9,11H2,1H3,(H,24,26)/t13-,17+/m1/s1.
What are the key properties of (3R,5S)-N-(3-chlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
(3R,5S)-N-(3-chlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 382.81 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-(3-chlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 134808133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).