N-(furan-2-ylmethylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide

C16H15N3O3 — CID 714311

IUPACN-(furan-2-ylmethylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NN=Cc1ccco1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C16H15N3O3/c20-15-7-2-8-19(15)13-5-1-4-12(10-13)16(21)18-17-11-14-6-3-9-22-14/h1,3-6,9-11H,2,7-8H2,(H,18,21)
InChIKeyQONLWFCNEYLDKA-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.17
Rot. Bonds4

About N-(furan-2-ylmethylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide

N-(furan-2-ylmethylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 714311) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-(furan-2-ylmethylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID714311
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-(furan-2-ylmethylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NN=Cc1ccco1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C16H15N3O3/c20-15-7-2-8-19(15)13-5-1-4-12(10-13)16(21)18-17-11-14-6-3-9-22-14/h1,3-6,9-11H,2,7-8H2,(H,18,21)
InChIKeyQONLWFCNEYLDKA-UHFFFAOYSA-N
XLogP2.17
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 135401367
N-[(E)-(4-nitrophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 6894458
N-[4-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]phenyl]furan-2-carboxamide
CID 42014564
N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 17047876
3-(2-oxopyrrolidin-1-yl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 5331393
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 135421588
N-[(E)-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 17132428
3-fluoro-N-[(E)-furan-2-ylmethylideneamino]benzamide
CID 6895117
N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 111481911
N-(furan-2-ylmethylideneamino)naphthalene-2-carboxamide
CID 67077074
3-acetamido-N-(furan-2-ylmethylideneamino)benzamide
CID 967548
3-hydroxy-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]benzamide
CID 8860986

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(furan-2-ylmethylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide (CID 714311) is N-(furan-2-ylmethylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(furan-2-ylmethylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide is O=C(NN=Cc1ccco1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-(furan-2-ylmethylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is QONLWFCNEYLDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-15-7-2-8-19(15)13-5-1-4-12(10-13)16(21)18-17-11-14-6-3-9-22-14/h1,3-6,9-11H,2,7-8H2,(H,18,21).
What are the key properties of N-(furan-2-ylmethylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide?
N-(furan-2-ylmethylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 297.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 714311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).