methyl 4-chloro-3-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate

C19H16ClFN2O4 — CID 113189550

IUPACmethyl 4-chloro-3-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
SMILESCOC(=O)c1ccc(Cl)c(N2CC(C(=O)Nc3ccccc3F)CC2=O)c1
InChIInChI=1S/C19H16ClFN2O4/c1-27-19(26)11-6-7-13(20)16(8-11)23-10-12(9-17(23)24)18(25)22-15-5-3-2-4-14(15)21/h2-8,12H,9-10H2,1H3,(H,22,25)
InChIKeyQWRDQOBRNVYJCT-UHFFFAOYSA-N
MW390.80 g/mol
LogP3.26
Rot. Bonds4

About methyl 4-chloro-3-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate

methyl 4-chloro-3-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate (PubChem CID 113189550) has the molecular formula C19H16ClFN2O4 and a molecular weight of 390.80 g/mol. Its IUPAC name is methyl 4-chloro-3-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
PubChem CID113189550
Molecular FormulaC19H16ClFN2O4
Molecular Weight390.80 g/mol
Exact Mass390.08
IUPAC Namemethyl 4-chloro-3-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
SMILESCOC(=O)c1ccc(Cl)c(N2CC(C(=O)Nc3ccccc3F)CC2=O)c1
InChIInChI=1S/C19H16ClFN2O4/c1-27-19(26)11-6-7-13(20)16(8-11)23-10-12(9-17(23)24)18(25)22-15-5-3-2-4-14(15)21/h2-8,12H,9-10H2,1H3,(H,22,25)
InChIKeyQWRDQOBRNVYJCT-UHFFFAOYSA-N
XLogP3.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.80
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-chloro-3-[4-(cyclopropylcarbamoyl)-2-oxopyrrolidin-1-yl]benzoate
CID 113189510
(3S)-N-(2-fluorophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7456530
(3S)-N-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30845832
N-(2-cyanophenyl)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191100
methyl 4-chloro-3-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 42949120
(3S)-N-(2,4-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30932440
1-(2,3-dimethylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42997101
methyl 2-[[1-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113192341
methyl 4-[4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189474
methyl 3-[[(3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylbenzoate
CID 8919927
(3S)-1-(2-chlorophenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569551
(3S)-1-(2-chlorophenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 8832147

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate?
The IUPAC name of methyl 4-chloro-3-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate (CID 113189550) is methyl 4-chloro-3-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate?
The canonical SMILES for methyl 4-chloro-3-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate is COC(=O)c1ccc(Cl)c(N2CC(C(=O)Nc3ccccc3F)CC2=O)c1.
What is the InChIKey of methyl 4-chloro-3-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate?
The InChIKey is QWRDQOBRNVYJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O4/c1-27-19(26)11-6-7-13(20)16(8-11)23-10-12(9-17(23)24)18(25)22-15-5-3-2-4-14(15)21/h2-8,12H,9-10H2,1H3,(H,22,25).
What are the key properties of methyl 4-chloro-3-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate?
methyl 4-chloro-3-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate has a molecular weight of 390.80 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate is sourced from PubChem (CID 113189550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).