methyl 2-[4-[(3,4-difluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate

C19H16F2N2O4 — CID 113189242

IUPACmethyl 2-[4-[(3,4-difluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
SMILESCOC(=O)c1ccccc1N1CC(C(=O)Nc2ccc(F)c(F)c2)CC1=O
InChIInChI=1S/C19H16F2N2O4/c1-27-19(26)13-4-2-3-5-16(13)23-10-11(8-17(23)24)18(25)22-12-6-7-14(20)15(21)9-12/h2-7,9,11H,8,10H2,1H3,(H,22,25)
InChIKeyHMYKINSWICORNT-UHFFFAOYSA-N
MW374.34 g/mol
LogP2.74
Rot. Bonds4

About methyl 2-[4-[(3,4-difluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate

methyl 2-[4-[(3,4-difluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate (PubChem CID 113189242) has the molecular formula C19H16F2N2O4 and a molecular weight of 374.34 g/mol. Its IUPAC name is methyl 2-[4-[(3,4-difluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-[4-[(3,4-difluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
PubChem CID113189242
Molecular FormulaC19H16F2N2O4
Molecular Weight374.34 g/mol
Exact Mass374.11
IUPAC Namemethyl 2-[4-[(3,4-difluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
SMILESCOC(=O)c1ccccc1N1CC(C(=O)Nc2ccc(F)c(F)c2)CC1=O
InChIInChI=1S/C19H16F2N2O4/c1-27-19(26)13-4-2-3-5-16(13)23-10-11(8-17(23)24)18(25)22-12-6-7-14(20)15(21)9-12/h2-7,9,11H,8,10H2,1H3,(H,22,25)
InChIKeyHMYKINSWICORNT-UHFFFAOYSA-N
XLogP2.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-[(4-acetamidophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189225
methyl 2-[4-[(4-methoxycarbonylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189228
methyl 2-[4-[(3,5-dimethylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189187
methyl 2-[4-[(4-tert-butylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189200
(3S)-N-(3,4-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40978656
methyl 2-[4-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 108768483
(3S)-1-(2-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 735284
methyl 2-[4-[[4-[(6-methylpyrimidin-4-yl)amino]phenyl]carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 108756628
methyl 2-[4-[[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 108767041
methyl 2-[4-(cyclopropylcarbamoyl)-2-oxopyrrolidin-1-yl]benzoate
CID 113189115
methyl 2-[2-oxo-4-[(2-propan-2-ylphenyl)carbamoyl]pyrrolidin-1-yl]benzoate
CID 113189194
1-(2,6-diethylphenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186941

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(3,4-difluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate?
The IUPAC name of methyl 2-[4-[(3,4-difluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate (CID 113189242) is methyl 2-[4-[(3,4-difluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate.
What is the SMILES notation for methyl 2-[4-[(3,4-difluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate?
The canonical SMILES for methyl 2-[4-[(3,4-difluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate is COC(=O)c1ccccc1N1CC(C(=O)Nc2ccc(F)c(F)c2)CC1=O.
What is the InChIKey of methyl 2-[4-[(3,4-difluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate?
The InChIKey is HMYKINSWICORNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O4/c1-27-19(26)13-4-2-3-5-16(13)23-10-11(8-17(23)24)18(25)22-12-6-7-14(20)15(21)9-12/h2-7,9,11H,8,10H2,1H3,(H,22,25).
What are the key properties of methyl 2-[4-[(3,4-difluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate?
methyl 2-[4-[(3,4-difluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate has a molecular weight of 374.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(3,4-difluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate is sourced from PubChem (CID 113189242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).