N'-[2-(4-fluorophenoxy)propanoyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide

C21H22FN3O5 — CID 55559454

IUPACN'-[2-(4-fluorophenoxy)propanoyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCOc1cccc(N2CC(C(=O)NNC(=O)C(C)Oc3ccc(F)cc3)CC2=O)c1
InChIInChI=1S/C21H22FN3O5/c1-13(30-17-8-6-15(22)7-9-17)20(27)23-24-21(28)14-10-19(26)25(12-14)16-4-3-5-18(11-16)29-2/h3-9,11,13-14H,10,12H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyIQULVRALYANCNB-UHFFFAOYSA-N
MW415.42 g/mol
LogP1.80
Rot. Bonds6

About N'-[2-(4-fluorophenoxy)propanoyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide

N'-[2-(4-fluorophenoxy)propanoyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 55559454) has the molecular formula C21H22FN3O5 and a molecular weight of 415.42 g/mol. Its IUPAC name is N'-[2-(4-fluorophenoxy)propanoyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenoxy)propanoyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide
PubChem CID55559454
Molecular FormulaC21H22FN3O5
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC NameN'-[2-(4-fluorophenoxy)propanoyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCOc1cccc(N2CC(C(=O)NNC(=O)C(C)Oc3ccc(F)cc3)CC2=O)c1
InChIInChI=1S/C21H22FN3O5/c1-13(30-17-8-6-15(22)7-9-17)20(27)23-24-21(28)14-10-19(26)25(12-14)16-4-3-5-18(11-16)29-2/h3-9,11,13-14H,10,12H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyIQULVRALYANCNB-UHFFFAOYSA-N
XLogP1.80
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluoro-4-methylphenyl)-N'-[2-(4-fluorophenoxy)propanoyl]-5-oxopyrrolidine-3-carbohydrazide
CID 46407999
1-cyclopentyl-N'-[2-(4-fluorophenoxy)propanoyl]-5-oxopyrrolidine-3-carbohydrazide
CID 51276378
1-(2,4-difluorophenyl)-N'-(2-naphthalen-2-yloxypropanoyl)-5-oxopyrrolidine-3-carbohydrazide
CID 55616525
(3R)-N-(5-fluoro-2-methylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39977521
(3S)-1-(3-methoxyphenyl)-5-oxo-N-[(2S)-pentan-2-yl]pyrrolidine-3-carboxamide
CID 9376482
N-[2-(2-fluorophenyl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46558078
(3S)-1-(3-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9376574
(2S)-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 42091432
N-(2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113190182
(3S)-1-(3-methoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 9376616
(3S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30805561
N'-[2-(4-fluorophenoxy)propanoyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide
CID 55702645

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenoxy)propanoyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of N'-[2-(4-fluorophenoxy)propanoyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide (CID 55559454) is N'-[2-(4-fluorophenoxy)propanoyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenoxy)propanoyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for N'-[2-(4-fluorophenoxy)propanoyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide is COc1cccc(N2CC(C(=O)NNC(=O)C(C)Oc3ccc(F)cc3)CC2=O)c1.
What is the InChIKey of N'-[2-(4-fluorophenoxy)propanoyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is IQULVRALYANCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O5/c1-13(30-17-8-6-15(22)7-9-17)20(27)23-24-21(28)14-10-19(26)25(12-14)16-4-3-5-18(11-16)29-2/h3-9,11,13-14H,10,12H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N'-[2-(4-fluorophenoxy)propanoyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide?
N'-[2-(4-fluorophenoxy)propanoyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 415.42 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenoxy)propanoyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 55559454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).