1-(2,4-difluorophenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide

C20H14F2N2O4 — CID 55978568

IUPAC1-(2,4-difluorophenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc2oc(=O)ccc2c1)C1CC(=O)N(c2ccc(F)cc2F)C1
InChIInChI=1S/C20H14F2N2O4/c21-13-2-4-16(15(22)9-13)24-10-12(8-18(24)25)20(27)23-14-3-5-17-11(7-14)1-6-19(26)28-17/h1-7,9,12H,8,10H2,(H,23,27)
InChIKeySGWABBQLTKTWJE-UHFFFAOYSA-N
MW384.34 g/mol
LogP3.06
Rot. Bonds3

About 1-(2,4-difluorophenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide

1-(2,4-difluorophenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide (PubChem CID 55978568) has the molecular formula C20H14F2N2O4 and a molecular weight of 384.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide
PubChem CID55978568
Molecular FormulaC20H14F2N2O4
Molecular Weight384.34 g/mol
Exact Mass384.09
IUPAC Name1-(2,4-difluorophenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc2oc(=O)ccc2c1)C1CC(=O)N(c2ccc(F)cc2F)C1
InChIInChI=1S/C20H14F2N2O4/c21-13-2-4-16(15(22)9-13)24-10-12(8-18(24)25)20(27)23-14-3-5-17-11(7-14)1-6-19(26)28-17/h1-7,9,12H,8,10H2,(H,23,27)
InChIKeySGWABBQLTKTWJE-UHFFFAOYSA-N
XLogP3.06
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide
CID 42651327
(3S)-1-(4-bromophenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide
CID 39342440
N-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55616772
N-(4-cyanophenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46404023
(3S)-5-oxo-N-(2-oxochromen-6-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42571043
1-(2,4-difluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 46404012
(3S)-1-(2,4-difluorophenyl)-5-oxo-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 136707450
ethyl 4-[2-oxo-4-[(2-oxochromen-6-yl)carbamoyl]pyrrolidin-1-yl]benzoate
CID 42651426
ethyl 4-[[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 46422511
1-(2,4-difluorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 55616171
1-(2,4-difluorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113190639
(3R)-5-oxo-N-(2-oxochromen-6-yl)-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51965283

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide (CID 55978568) is 1-(2,4-difluorophenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide is O=C(Nc1ccc2oc(=O)ccc2c1)C1CC(=O)N(c2ccc(F)cc2F)C1.
What is the InChIKey of 1-(2,4-difluorophenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide?
The InChIKey is SGWABBQLTKTWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N2O4/c21-13-2-4-16(15(22)9-13)24-10-12(8-18(24)25)20(27)23-14-3-5-17-11(7-14)1-6-19(26)28-17/h1-7,9,12H,8,10H2,(H,23,27).
What are the key properties of 1-(2,4-difluorophenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide?
1-(2,4-difluorophenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide has a molecular weight of 384.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55978568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).