1-(4-fluorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide

C18H16FN3O3 — CID 135536624

IUPAC1-(4-fluorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C18H16FN3O3/c19-14-5-7-15(8-6-14)22-11-13(9-17(22)24)18(25)21-20-10-12-3-1-2-4-16(12)23/h1-8,10,13,23H,9,11H2,(H,21,25)/b20-10+
InChIKeyDYMLDASAQZZVCF-KEBDBYFISA-N
MW341.34 g/mol
LogP2.03
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide

1-(4-fluorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide (PubChem CID 135536624) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
PubChem CID135536624
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name1-(4-fluorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C18H16FN3O3/c19-14-5-7-15(8-6-14)22-11-13(9-17(22)24)18(25)21-20-10-12-3-1-2-4-16(12)23/h1-8,10,13,23H,9,11H2,(H,21,25)/b20-10+
InChIKeyDYMLDASAQZZVCF-KEBDBYFISA-N
XLogP2.03
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-Methoxyphenyl)-5-oxo-N'-[-phenylmethylidene]-3-pyrrolidinecarbohydrazide
CID 9591858
4-[(2E)-2-(2-hydroxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135683576
N-(4-Fluorophenyl)-3-{N'-[(E)-(4-hydroxyphenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135625972
N-benzyl-4-{2-[4-(diethylamino)-2-hydroxybenzylidene]hydrazino}-4-oxobutanamide
CID 135401468
3-{N'-[(E)-(2,4-Dihydroxyphenyl)methylidene]hydrazinecarbonyl}-N-(4-fluorophenyl)propanamide
CID 135421766
N'-(3-allyl-2-hydroxybenzylidene)-4-[(4-methylphenyl)amino]butanohydrazide
CID 135425036
1-(4-ethylphenyl)-N'-{2-hydroxy-5-nitrobenzylidene}-5-oxo-3-pyrrolidinecarbohydrazide
CID 135455099
1-(4-chlorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylidene]-5-oxopyrrolidine-3-carbohydrazide
CID 135492281
4-[(2E)-2-(3-allyl-2-hydroxybenzylidene)hydrazino]-N-(4-fluorophenyl)-4-oxobutanamide
CID 135517031
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 135520042
N-(4-fluorophenyl)-4-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-4-oxobutanamide
CID 135439722
4-[(2E)-2-(3-allyl-2-hydroxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135517011

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide (CID 135536624) is 1-(4-fluorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide is O=C(N/N=C/c1ccccc1O)C1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DYMLDASAQZZVCF-KEBDBYFISA-N. The full InChI is InChI=1S/C18H16FN3O3/c19-14-5-7-15(8-6-14)22-11-13(9-17(22)24)18(25)21-20-10-12-3-1-2-4-16(12)23/h1-8,10,13,23H,9,11H2,(H,21,25)/b20-10+.
What are the key properties of 1-(4-fluorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide?
1-(4-fluorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 341.34 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 135536624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).