1-(2,4-difluorophenyl)-N'-(2-naphthalen-2-yloxypropanoyl)-5-oxopyrrolidine-3-carbohydrazide

C24H21F2N3O4 — CID 55616525

IUPAC1-(2,4-difluorophenyl)-N'-(2-naphthalen-2-yloxypropanoyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCC(Oc1ccc2ccccc2c1)C(=O)NNC(=O)C1CC(=O)N(c2ccc(F)cc2F)C1
InChIInChI=1S/C24H21F2N3O4/c1-14(33-19-8-6-15-4-2-3-5-16(15)10-19)23(31)27-28-24(32)17-11-22(30)29(13-17)21-9-7-18(25)12-20(21)26/h2-10,12,14,17H,11,13H2,1H3,(H,27,31)(H,28,32)
InChIKeyXEDMJPMMOXMGQH-UHFFFAOYSA-N
MW453.45 g/mol
LogP3.09
Rot. Bonds5

About 1-(2,4-difluorophenyl)-N'-(2-naphthalen-2-yloxypropanoyl)-5-oxopyrrolidine-3-carbohydrazide

1-(2,4-difluorophenyl)-N'-(2-naphthalen-2-yloxypropanoyl)-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 55616525) has the molecular formula C24H21F2N3O4 and a molecular weight of 453.45 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N'-(2-naphthalen-2-yloxypropanoyl)-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N'-(2-naphthalen-2-yloxypropanoyl)-5-oxopyrrolidine-3-carbohydrazide
PubChem CID55616525
Molecular FormulaC24H21F2N3O4
Molecular Weight453.45 g/mol
Exact Mass453.15
IUPAC Name1-(2,4-difluorophenyl)-N'-(2-naphthalen-2-yloxypropanoyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCC(Oc1ccc2ccccc2c1)C(=O)NNC(=O)C1CC(=O)N(c2ccc(F)cc2F)C1
InChIInChI=1S/C24H21F2N3O4/c1-14(33-19-8-6-15-4-2-3-5-16(15)10-19)23(31)27-28-24(32)17-11-22(30)29(13-17)21-9-7-18(25)12-20(21)26/h2-10,12,14,17H,11,13H2,1H3,(H,27,31)(H,28,32)
InChIKeyXEDMJPMMOXMGQH-UHFFFAOYSA-N
XLogP3.09
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
N'-[2-(4-fluorophenoxy)propanoyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 55559454
1-(2,4-difluorophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113190668
(2S)-2-[[(3R)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 124693037
1-cyclopentyl-N'-[2-(4-fluorophenoxy)propanoyl]-5-oxopyrrolidine-3-carbohydrazide
CID 51276378
N-(2-acetylphenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42957217
1-(2,4-difluorophenyl)-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 46404177
N'-[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide
CID 55616843
1-(2,4-difluorophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55618657
N-(2-aminoethyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119383551
N-(2,5-diethoxyphenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46404018
ethyl 1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 50874002

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N'-(2-naphthalen-2-yloxypropanoyl)-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of 1-(2,4-difluorophenyl)-N'-(2-naphthalen-2-yloxypropanoyl)-5-oxopyrrolidine-3-carbohydrazide (CID 55616525) is 1-(2,4-difluorophenyl)-N'-(2-naphthalen-2-yloxypropanoyl)-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N'-(2-naphthalen-2-yloxypropanoyl)-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for 1-(2,4-difluorophenyl)-N'-(2-naphthalen-2-yloxypropanoyl)-5-oxopyrrolidine-3-carbohydrazide is CC(Oc1ccc2ccccc2c1)C(=O)NNC(=O)C1CC(=O)N(c2ccc(F)cc2F)C1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N'-(2-naphthalen-2-yloxypropanoyl)-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is XEDMJPMMOXMGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O4/c1-14(33-19-8-6-15-4-2-3-5-16(15)10-19)23(31)27-28-24(32)17-11-22(30)29(13-17)21-9-7-18(25)12-20(21)26/h2-10,12,14,17H,11,13H2,1H3,(H,27,31)(H,28,32).
What are the key properties of 1-(2,4-difluorophenyl)-N'-(2-naphthalen-2-yloxypropanoyl)-5-oxopyrrolidine-3-carbohydrazide?
1-(2,4-difluorophenyl)-N'-(2-naphthalen-2-yloxypropanoyl)-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 453.45 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N'-(2-naphthalen-2-yloxypropanoyl)-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 55616525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).