1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide

C16H14F2N2O3 — CID 42853556

IUPAC1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(c2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C16H14F2N2O3/c17-13-4-3-10(8-14(13)18)20-6-5-12(16(20)22)15(21)19-9-11-2-1-7-23-11/h1-4,7-8,12H,5-6,9H2,(H,19,21)
InChIKeyAIECHAHUPDZXAM-UHFFFAOYSA-N
MW320.30 g/mol
LogP2.23
Rot. Bonds4

About 1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide

1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 42853556) has the molecular formula C16H14F2N2O3 and a molecular weight of 320.30 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID42853556
Molecular FormulaC16H14F2N2O3
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC Name1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(c2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C16H14F2N2O3/c17-13-4-3-10(8-14(13)18)20-6-5-12(16(20)22)15(21)19-9-11-2-1-7-23-11/h1-4,7-8,12H,5-6,9H2,(H,19,21)
InChIKeyAIECHAHUPDZXAM-UHFFFAOYSA-N
XLogP2.23
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-methylphenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide
CID 46048595
1-(3,4-difluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide
CID 136578737
1-(2-chloro-5-methylphenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide
CID 46048703
1-(3,4-difluorophenyl)-N-[2-(methylamino)propyl]-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120829415
1-(3-chlorophenyl)-N-[(3-methylfuran-2-yl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 136545228
1-(3-chloro-4-fluorophenyl)-N-[(3-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 46159426
1-(3,4-difluorobenzoyl)-N-(furan-2-ylmethyl)azetidine-3-carboxamide
CID 56724413
(3R)-N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 94079978
(3R)-N-(1-cyanocyclobutyl)-1-(3,4-difluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 124885270
(3S)-1-(3,4-difluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 94469084
3-[[(3S)-1-(3,4-difluorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 125154283
(3R)-1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 765553

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide (CID 42853556) is 1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide is O=C(NCc1ccco1)C1CCN(c2ccc(F)c(F)c2)C1=O.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is AIECHAHUPDZXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O3/c17-13-4-3-10(8-14(13)18)20-6-5-12(16(20)22)15(21)19-9-11-2-1-7-23-11/h1-4,7-8,12H,5-6,9H2,(H,19,21).
What are the key properties of 1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide?
1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 320.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42853556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).