N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide

C20H19FN2O4 — CID 26391498

IUPACN-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide
SMILESO=C(N[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1)c1coc2c1C(=O)CCC2
InChIInChI=1S/C20H19FN2O4/c21-13-6-4-12(5-7-13)9-23-10-14(8-18(23)25)22-20(26)15-11-27-17-3-1-2-16(24)19(15)17/h4-7,11,14H,1-3,8-10H2,(H,22,26)/t14-/m0/s1
InChIKeyDFPKVBUJAVMAGN-AWEZNQCLSA-N
MW370.38 g/mol
LogP2.47
Rot. Bonds4

About N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide

N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide (PubChem CID 26391498) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide
PubChem CID26391498
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC NameN-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide
SMILESO=C(N[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1)c1coc2c1C(=O)CCC2
InChIInChI=1S/C20H19FN2O4/c21-13-6-4-12(5-7-13)9-23-10-14(8-18(23)25)22-20(26)15-11-27-17-3-1-2-16(24)19(15)17/h4-7,11,14H,1-3,8-10H2,(H,22,26)/t14-/m0/s1
InChIKeyDFPKVBUJAVMAGN-AWEZNQCLSA-N
XLogP2.47
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
The IUPAC name of N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide (CID 26391498) is N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide is O=C(N[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1)c1coc2c1C(=O)CCC2.
What is the InChIKey of N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
The InChIKey is DFPKVBUJAVMAGN-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19FN2O4/c21-13-6-4-12(5-7-13)9-23-10-14(8-18(23)25)22-20(26)15-11-27-17-3-1-2-16(24)19(15)17/h4-7,11,14H,1-3,8-10H2,(H,22,26)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide is sourced from PubChem (CID 26391498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).