(3R)-1-(2-chlorophenyl)-N-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide

C18H15ClF3N3O3 — CID 99787228

IUPAC(3R)-1-(2-chlorophenyl)-N-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c(C(F)(F)F)n1
InChIInChI=1S/C18H15ClF3N3O3/c1-28-14-7-6-12(16(24-14)18(20,21)22)23-17(27)10-8-15(26)25(9-10)13-5-3-2-4-11(13)19/h2-7,10H,8-9H2,1H3,(H,23,27)/t10-/m1/s1
InChIKeyAQFZOQAJYVZAHY-SNVBAGLBSA-N
MW413.78 g/mol
LogP3.75
Rot. Bonds4

About (3R)-1-(2-chlorophenyl)-N-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(2-chlorophenyl)-N-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 99787228) has the molecular formula C18H15ClF3N3O3 and a molecular weight of 413.78 g/mol. Its IUPAC name is (3R)-1-(2-chlorophenyl)-N-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-chlorophenyl)-N-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID99787228
Molecular FormulaC18H15ClF3N3O3
Molecular Weight413.78 g/mol
Exact Mass413.08
IUPAC Name(3R)-1-(2-chlorophenyl)-N-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c(C(F)(F)F)n1
InChIInChI=1S/C18H15ClF3N3O3/c1-28-14-7-6-12(16(24-14)18(20,21)22)23-17(27)10-8-15(26)25(9-10)13-5-3-2-4-11(13)19/h2-7,10H,8-9H2,1H3,(H,23,27)/t10-/m1/s1
InChIKeyAQFZOQAJYVZAHY-SNVBAGLBSA-N
XLogP3.75
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.78
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51159175
(3S)-1-(2-chlorophenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 8832147
(3S)-1-(2-chlorophenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569551
(3R)-N-(2-acetylphenyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 8891463
N-(4-chloro-2,5-dimethoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 42999548
(3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 42057854
1-(2-chlorophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2967716
(3R)-1-(2-chlorophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056440
1-(2-chlorophenyl)-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 112789630
N-(4-acetamidophenyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2951564
(3S)-N-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056525
(3S)-N-(2,4-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30932440

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-chlorophenyl)-N-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-chlorophenyl)-N-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide (CID 99787228) is (3R)-1-(2-chlorophenyl)-N-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-chlorophenyl)-N-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-chlorophenyl)-N-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c(C(F)(F)F)n1.
What is the InChIKey of (3R)-1-(2-chlorophenyl)-N-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AQFZOQAJYVZAHY-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H15ClF3N3O3/c1-28-14-7-6-12(16(24-14)18(20,21)22)23-17(27)10-8-15(26)25(9-10)13-5-3-2-4-11(13)19/h2-7,10H,8-9H2,1H3,(H,23,27)/t10-/m1/s1.
What are the key properties of (3R)-1-(2-chlorophenyl)-N-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(2-chlorophenyl)-N-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 413.78 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-chlorophenyl)-N-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 99787228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).