[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-chloro-2-fluorobenzoate

C19H16ClFN2O4 — CID 8625237

IUPAC[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-chloro-2-fluorobenzoate
SMILESO=C(COC(=O)c1cc(Cl)ccc1F)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H16ClFN2O4/c20-12-3-8-16(21)15(10-12)19(26)27-11-17(24)22-13-4-6-14(7-5-13)23-9-1-2-18(23)25/h3-8,10H,1-2,9,11H2,(H,22,24)
InChIKeyCLNGCDCXCZNJIN-UHFFFAOYSA-N
MW390.80 g/mol
LogP3.40
Rot. Bonds5

About [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-chloro-2-fluorobenzoate

[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-chloro-2-fluorobenzoate (PubChem CID 8625237) has the molecular formula C19H16ClFN2O4 and a molecular weight of 390.80 g/mol. Its IUPAC name is [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-chloro-2-fluorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-chloro-2-fluorobenzoate
PubChem CID8625237
Molecular FormulaC19H16ClFN2O4
Molecular Weight390.80 g/mol
Exact Mass390.08
IUPAC Name[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-chloro-2-fluorobenzoate
SMILESO=C(COC(=O)c1cc(Cl)ccc1F)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H16ClFN2O4/c20-12-3-8-16(21)15(10-12)19(26)27-11-17(24)22-13-4-6-14(7-5-13)23-9-1-2-18(23)25/h3-8,10H,1-2,9,11H2,(H,22,24)
InChIKeyCLNGCDCXCZNJIN-UHFFFAOYSA-N
XLogP3.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.80
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-chloro-6-fluorobenzoate
CID 9414905
2-(4-chloro-2-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 56921121
2-(4-chloro-2-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8716544
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-chloro-2-(2-oxopyrrolidin-1-yl)benzoate
CID 32553124
(2-anilino-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404789
2-(2-aminoethoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 79474170
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7953022
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] cyclohexanecarboxylate
CID 9416191
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131092
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2,4-dichlorobenzoate
CID 7857974
[2-(3,4-dimethylanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619845
2-fluoro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8746567

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-chloro-2-fluorobenzoate?
The IUPAC name of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-chloro-2-fluorobenzoate (CID 8625237) is [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-chloro-2-fluorobenzoate.
What is the SMILES notation for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-chloro-2-fluorobenzoate?
The canonical SMILES for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-chloro-2-fluorobenzoate is O=C(COC(=O)c1cc(Cl)ccc1F)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-chloro-2-fluorobenzoate?
The InChIKey is CLNGCDCXCZNJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O4/c20-12-3-8-16(21)15(10-12)19(26)27-11-17(24)22-13-4-6-14(7-5-13)23-9-1-2-18(23)25/h3-8,10H,1-2,9,11H2,(H,22,24).
What are the key properties of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-chloro-2-fluorobenzoate?
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-chloro-2-fluorobenzoate has a molecular weight of 390.80 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-chloro-2-fluorobenzoate is sourced from PubChem (CID 8625237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).