(2S)-N-(3,4-difluorophenyl)-5-oxo-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide

C19H14F2N2O4 — CID 7083768

IUPAC(2S)-N-(3,4-difluorophenyl)-5-oxo-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide
SMILESO=C1O[C@H](N2C(=O)CC[C@H]2C(=O)Nc2ccc(F)c(F)c2)c2ccccc21
InChIInChI=1S/C19H14F2N2O4/c20-13-6-5-10(9-14(13)21)22-17(25)15-7-8-16(24)23(15)18-11-3-1-2-4-12(11)19(26)27-18/h1-6,9,15,18H,7-8H2,(H,22,25)/t15-,18-/m0/s1
InChIKeyTYNBQERPUSLOCV-YJBOKZPZSA-N
MW372.33 g/mol
LogP2.76
Rot. Bonds3

About (2S)-N-(3,4-difluorophenyl)-5-oxo-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide

(2S)-N-(3,4-difluorophenyl)-5-oxo-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide (PubChem CID 7083768) has the molecular formula C19H14F2N2O4 and a molecular weight of 372.33 g/mol. Its IUPAC name is (2S)-N-(3,4-difluorophenyl)-5-oxo-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3,4-difluorophenyl)-5-oxo-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide
PubChem CID7083768
Molecular FormulaC19H14F2N2O4
Molecular Weight372.33 g/mol
Exact Mass372.09
IUPAC Name(2S)-N-(3,4-difluorophenyl)-5-oxo-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide
SMILESO=C1O[C@H](N2C(=O)CC[C@H]2C(=O)Nc2ccc(F)c(F)c2)c2ccccc21
InChIInChI=1S/C19H14F2N2O4/c20-13-6-5-10(9-14(13)21)22-17(25)15-7-8-16(24)23(15)18-11-3-1-2-4-12(11)19(26)27-18/h1-6,9,15,18H,7-8H2,(H,22,25)/t15-,18-/m0/s1
InChIKeyTYNBQERPUSLOCV-YJBOKZPZSA-N
XLogP2.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3,5-dichlorophenyl)-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide
CID 6575602
(2S)-N-(3,4-dimethoxyphenyl)-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide
CID 7083406
N-(4-acetylphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide
CID 3775144
N-(4-methoxyphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide
CID 3830441
(2S)-N-(2,5-dimethylphenyl)-5-oxo-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide
CID 7084177
N-(2-ethylphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide
CID 5159919
(2S)-N-[(2R)-butan-2-yl]-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide
CID 7083516
N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide
CID 5196805
(2S)-N-[(2R)-2-ethylhexyl]-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide
CID 7086581
(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-5-oxopyrrolidine-2-carboxamide
CID 6568165
1-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-N-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 3479437
(2S)-1-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-N-(9-ethylcarbazol-3-yl)-5-oxopyrrolidine-2-carboxamide
CID 40891067

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,4-difluorophenyl)-5-oxo-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3,4-difluorophenyl)-5-oxo-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide (CID 7083768) is (2S)-N-(3,4-difluorophenyl)-5-oxo-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3,4-difluorophenyl)-5-oxo-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3,4-difluorophenyl)-5-oxo-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide is O=C1O[C@H](N2C(=O)CC[C@H]2C(=O)Nc2ccc(F)c(F)c2)c2ccccc21.
What is the InChIKey of (2S)-N-(3,4-difluorophenyl)-5-oxo-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide?
The InChIKey is TYNBQERPUSLOCV-YJBOKZPZSA-N. The full InChI is InChI=1S/C19H14F2N2O4/c20-13-6-5-10(9-14(13)21)22-17(25)15-7-8-16(24)23(15)18-11-3-1-2-4-12(11)19(26)27-18/h1-6,9,15,18H,7-8H2,(H,22,25)/t15-,18-/m0/s1.
What are the key properties of (2S)-N-(3,4-difluorophenyl)-5-oxo-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide?
(2S)-N-(3,4-difluorophenyl)-5-oxo-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide has a molecular weight of 372.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,4-difluorophenyl)-5-oxo-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 7083768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).