3-(2-oxopyrrolidin-1-yl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide

C24H21N3O3 — CID 5331393

IUPAC3-(2-oxopyrrolidin-1-yl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C24H21N3O3/c28-23-13-6-14-27(23)20-9-5-8-19(16-20)24(29)26-25-17-18-7-4-12-22(15-18)30-21-10-2-1-3-11-21/h1-5,7-12,15-17H,6,13-14H2,(H,26,29)/b25-17+
InChIKeyJNXSFMMEOIHDEK-KOEQRZSOSA-N
MW399.45 g/mol
LogP4.37
Rot. Bonds6

About 3-(2-oxopyrrolidin-1-yl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide

3-(2-oxopyrrolidin-1-yl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide (PubChem CID 5331393) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-(2-oxopyrrolidin-1-yl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-(2-oxopyrrolidin-1-yl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
PubChem CID5331393
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name3-(2-oxopyrrolidin-1-yl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C24H21N3O3/c28-23-13-6-14-27(23)20-9-5-8-19(16-20)24(29)26-25-17-18-7-4-12-22(15-18)30-21-10-2-1-3-11-21/h1-5,7-12,15-17H,6,13-14H2,(H,26,29)/b25-17+
InChIKeyJNXSFMMEOIHDEK-KOEQRZSOSA-N
XLogP4.37
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.37
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)-(3-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 6898294
N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6870929
N-[(E)-(4-nitrophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 6894458
N-(furan-2-ylmethylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 714311
3-hydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6911430
3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 94847748
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 135401367
N-[(Z)-(3-bromophenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 5440401
1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one
CID 142760205
N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 17047876
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 135421588
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide (CID 5331393) is 3-(2-oxopyrrolidin-1-yl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-(2-oxopyrrolidin-1-yl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-(2-oxopyrrolidin-1-yl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide is O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of 3-(2-oxopyrrolidin-1-yl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide?
The InChIKey is JNXSFMMEOIHDEK-KOEQRZSOSA-N. The full InChI is InChI=1S/C24H21N3O3/c28-23-13-6-14-27(23)20-9-5-8-19(16-20)24(29)26-25-17-18-7-4-12-22(15-18)30-21-10-2-1-3-11-21/h1-5,7-12,15-17H,6,13-14H2,(H,26,29)/b25-17+.
What are the key properties of 3-(2-oxopyrrolidin-1-yl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide?
3-(2-oxopyrrolidin-1-yl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide has a molecular weight of 399.45 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopyrrolidin-1-yl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5331393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).