(2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

C19H17ClF3N3O2 — CID 71450792

IUPAC(2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1Cl)[C@H]1CCC(=O)N1Cc1cccnc1
InChIInChI=1S/C19H17ClF3N3O2/c20-17-13(4-1-5-14(17)19(21,22)23)10-25-18(28)15-6-7-16(27)26(15)11-12-3-2-8-24-9-12/h1-5,8-9,15H,6-7,10-11H2,(H,25,28)/t15-/m1/s1
InChIKeyUYQYDZPFNWIRER-OAHLLOKOSA-N
MW411.81 g/mol
LogP3.56
Rot. Bonds5

About (2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

(2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 71450792) has the molecular formula C19H17ClF3N3O2 and a molecular weight of 411.81 g/mol. Its IUPAC name is (2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID71450792
Molecular FormulaC19H17ClF3N3O2
Molecular Weight411.81 g/mol
Exact Mass411.10
IUPAC Name(2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1Cl)[C@H]1CCC(=O)N1Cc1cccnc1
InChIInChI=1S/C19H17ClF3N3O2/c20-17-13(4-1-5-14(17)19(21,22)23)10-25-18(28)15-6-7-16(27)26(15)11-12-3-2-8-24-9-12/h1-5,8-9,15H,6-7,10-11H2,(H,25,28)/t15-/m1/s1
InChIKeyUYQYDZPFNWIRER-OAHLLOKOSA-N
XLogP3.56
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.81
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-chlorobenzyl)-2-oxoimidazolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 15993317
1-(4-Chlorophenyl)-3-[(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione
CID 661653
1-[(2-chlorophenyl)methyl]-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 2998654
1-[(4-methylphenyl)methyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 4051992
2-[1-(4-chloro-3-fluorobenzyl)-3-oxo-2-piperazinyl]-N-[2-(3-pyridinyl)ethyl]acetamide
CID 16190519
2-[1-(2-chloro-6-fluorobenzyl)-3-oxo-2-piperazinyl]-N-[2-(2-pyridinyl)ethyl]acetamide
CID 16192304
(2S,3S)-2-amino-3-(4-(3-chloropyridin-4-yl)phenyl)-1-((S)-3-fluoropyrrolidin-1-yl)butan-1-one
CID 44561011
(2S,4S)-1-[(4-chlorophenyl)methyl]-4-[[1-(2-phenylethyl)piperidin-4-yl]amino]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 45489036
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide
CID 52943071
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-methyl-4-pyridinyl)-2-oxoimidazolidine-4-carboxamide
CID 52946486
N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxo-1-(pyridin-2-ylmethyl)imidazolidine-4-carboxamide
CID 25096470
N-{[2-Chloro-3-(trifluoromethyl)phenyl]methyl}-3-methyl-2-oxo-1-(3-pyridinyl)-4-imidazolidinecarboxamide
CID 25097733

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (CID 71450792) is (2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@H]1CCC(=O)N1Cc1cccnc1.
What is the InChIKey of (2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is UYQYDZPFNWIRER-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H17ClF3N3O2/c20-17-13(4-1-5-14(17)19(21,22)23)10-25-18(28)15-6-7-16(27)26(15)11-12-3-2-8-24-9-12/h1-5,8-9,15H,6-7,10-11H2,(H,25,28)/t15-/m1/s1.
What are the key properties of (2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
(2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 411.81 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 71450792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).