1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrrolidine-3-carboxamide

C20H17ClF3N3O4 — CID 55331707

IUPAC1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1N1CC(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1=O
InChIInChI=1S/C20H17ClF3N3O4/c1-31-15-5-2-11(21)7-14(15)27-9-10(6-17(27)29)20(30)25-8-16(28)26-13-4-3-12(22)18(23)19(13)24/h2-5,7,10H,6,8-9H2,1H3,(H,25,30)(H,26,28)
InChIKeyRCWNEAMIJNKZCI-UHFFFAOYSA-N
MW455.82 g/mol
LogP2.87
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrrolidine-3-carboxamide

1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrrolidine-3-carboxamide (PubChem CID 55331707) has the molecular formula C20H17ClF3N3O4 and a molecular weight of 455.82 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrrolidine-3-carboxamide
PubChem CID55331707
Molecular FormulaC20H17ClF3N3O4
Molecular Weight455.82 g/mol
Exact Mass455.09
IUPAC Name1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1N1CC(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1=O
InChIInChI=1S/C20H17ClF3N3O4/c1-31-15-5-2-11(21)7-14(15)27-9-10(6-17(27)29)20(30)25-8-16(28)26-13-4-3-12(22)18(23)19(13)24/h2-5,7,10H,6,8-9H2,1H3,(H,25,30)(H,26,28)
InChIKeyRCWNEAMIJNKZCI-UHFFFAOYSA-N
XLogP2.87
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.82
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(5-chloro-2-methoxyphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 41156421
(3R)-1-(5-chloro-2-methoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 9489350
(3R)-1-(5-chloro-2-methoxyphenyl)-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502369
1-(5-chloro-2-methoxyphenyl)-N-[4-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 71879533
1-(5-chloro-2-methoxyphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide
CID 78866862
(3R)-N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8780130
(3S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 26003271
(3S)-1-(5-chloro-2-methoxyphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8714268
methyl 2-[[(3S)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 9395060
(3R)-1-(5-chloro-2-methoxyphenyl)-N-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004503
(3R)-N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 39341475
N-(3-amino-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119419417

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrrolidine-3-carboxamide (CID 55331707) is 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrrolidine-3-carboxamide is COc1ccc(Cl)cc1N1CC(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1=O.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is RCWNEAMIJNKZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N3O4/c1-31-15-5-2-11(21)7-14(15)27-9-10(6-17(27)29)20(30)25-8-16(28)26-13-4-3-12(22)18(23)19(13)24/h2-5,7,10H,6,8-9H2,1H3,(H,25,30)(H,26,28).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrrolidine-3-carboxamide?
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 455.82 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55331707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).