N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetohydrazide

C19H18FN3O4 — CID 4077280

IUPACN'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetohydrazide
SMILESCOc1ccc(CC(=O)NNC2CC(=O)N(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C19H18FN3O4/c1-27-15-8-2-12(3-9-15)10-17(24)22-21-16-11-18(25)23(19(16)26)14-6-4-13(20)5-7-14/h2-9,16,21H,10-11H2,1H3,(H,22,24)
InChIKeyRXKWXFGFUOURII-UHFFFAOYSA-N
MW371.37 g/mol
LogP1.33
Rot. Bonds6

About N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetohydrazide

N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetohydrazide (PubChem CID 4077280) has the molecular formula C19H18FN3O4 and a molecular weight of 371.37 g/mol. Its IUPAC name is N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetohydrazide.

Molecular Properties

Compound NameN'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetohydrazide
PubChem CID4077280
Molecular FormulaC19H18FN3O4
Molecular Weight371.37 g/mol
Exact Mass371.13
IUPAC NameN'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetohydrazide
SMILESCOc1ccc(CC(=O)NNC2CC(=O)N(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C19H18FN3O4/c1-27-15-8-2-12(3-9-15)10-17(24)22-21-16-11-18(25)23(19(16)26)14-6-4-13(20)5-7-14/h2-9,16,21H,10-11H2,1H3,(H,22,24)
InChIKeyRXKWXFGFUOURII-UHFFFAOYSA-N
XLogP1.33
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]carbamate
CID 92542330
N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-thiophen-2-ylacetohydrazide
CID 4097692
2-hydroxy-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 1213098
N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide
CID 686395
1-(4-methoxyphenyl)-3-[2-(2,3,4,5,6-pentafluorophenyl)hydrazinyl]pyrrolidine-2,5-dione
CID 3799496
N'-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methoxyphenoxy)acetohydrazide
CID 1120071
3,4-dimethoxy-N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 4896092
3,4-dimethoxy-N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 7641357
(3R)-1-(4-fluorophenyl)-3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione
CID 7353562
methyl 4-[(3R)-3-[(4-methoxyphenyl)methylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 1109153
(E)-4-[[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-methoxyphenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 1042400
N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide
CID 40619107

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetohydrazide?
The IUPAC name of N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetohydrazide (CID 4077280) is N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetohydrazide.
What is the SMILES notation for N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetohydrazide?
The canonical SMILES for N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetohydrazide is COc1ccc(CC(=O)NNC2CC(=O)N(c3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetohydrazide?
The InChIKey is RXKWXFGFUOURII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4/c1-27-15-8-2-12(3-9-15)10-17(24)22-21-16-11-18(25)23(19(16)26)14-6-4-13(20)5-7-14/h2-9,16,21H,10-11H2,1H3,(H,22,24).
What are the key properties of N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetohydrazide?
N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetohydrazide has a molecular weight of 371.37 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetohydrazide is sourced from PubChem (CID 4077280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).