2-fluoro-N-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]benzamide

C21H22FN3O3 — CID 9235557

IUPAC2-fluoro-N-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccccc1F)c1ccc(OCC(=O)N2CCCC2)cc1
InChIInChI=1S/C21H22FN3O3/c1-15(23-24-21(27)18-6-2-3-7-19(18)22)16-8-10-17(11-9-16)28-14-20(26)25-12-4-5-13-25/h2-3,6-11H,4-5,12-14H2,1H3,(H,24,27)/b23-15-
InChIKeyQBNNFVHTNXSTPT-HAHDFKILSA-N
MW383.42 g/mol
LogP2.98
Rot. Bonds6

About 2-fluoro-N-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]benzamide

2-fluoro-N-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]benzamide (PubChem CID 9235557) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is 2-fluoro-N-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]benzamide
PubChem CID9235557
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC Name2-fluoro-N-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccccc1F)c1ccc(OCC(=O)N2CCCC2)cc1
InChIInChI=1S/C21H22FN3O3/c1-15(23-24-21(27)18-6-2-3-7-19(18)22)16-8-10-17(11-9-16)28-14-20(26)25-12-4-5-13-25/h2-3,6-11H,4-5,12-14H2,1H3,(H,24,27)/b23-15-
InChIKeyQBNNFVHTNXSTPT-HAHDFKILSA-N
XLogP2.98
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.98
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-[(Z)-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]ethylideneamino]pyridine-2-carboxamide
CID 9015535
N'-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]oxamide
CID 9120802
2-fluoro-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 4200169
2-[4-[(Z)-N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]phenoxy]-1-piperidin-1-ylethanone
CID 9058315
2-(4-ethoxyphenoxy)-1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]ethanone
CID 78849924
1-[(Z)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethylideneamino]-3-phenylurea
CID 9242424
1-[(1R,2R)-2-methylcyclohexyl]-3-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]thiourea
CID 9121962
N-[(Z)-1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide
CID 6108928
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide
CID 1358379
2-amino-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 689617
1-(azocan-1-yl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone
CID 55397362
2-chloro-N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]benzamide
CID 9016411

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]benzamide?
The IUPAC name of 2-fluoro-N-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]benzamide (CID 9235557) is 2-fluoro-N-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]benzamide.
What is the SMILES notation for 2-fluoro-N-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]benzamide?
The canonical SMILES for 2-fluoro-N-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]benzamide is C/C(=N/NC(=O)c1ccccc1F)c1ccc(OCC(=O)N2CCCC2)cc1.
What is the InChIKey of 2-fluoro-N-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]benzamide?
The InChIKey is QBNNFVHTNXSTPT-HAHDFKILSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-15(23-24-21(27)18-6-2-3-7-19(18)22)16-8-10-17(11-9-16)28-14-20(26)25-12-4-5-13-25/h2-3,6-11H,4-5,12-14H2,1H3,(H,24,27)/b23-15-.
What are the key properties of 2-fluoro-N-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]benzamide?
2-fluoro-N-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]benzamide has a molecular weight of 383.42 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]benzamide is sourced from PubChem (CID 9235557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).