N'-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenoxyacetohydrazide

C18H16ClN3O4 — CID 3940606

IUPACN'-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenoxyacetohydrazide
SMILESO=C(COc1ccccc1)NNC1CC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C18H16ClN3O4/c19-12-6-8-13(9-7-12)22-17(24)10-15(18(22)25)20-21-16(23)11-26-14-4-2-1-3-5-14/h1-9,15,20H,10-11H2,(H,21,23)
InChIKeyFLPIGTRSRDWZQN-UHFFFAOYSA-N
MW373.80 g/mol
LogP1.67
Rot. Bonds6

About N'-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenoxyacetohydrazide

N'-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenoxyacetohydrazide (PubChem CID 3940606) has the molecular formula C18H16ClN3O4 and a molecular weight of 373.80 g/mol. Its IUPAC name is N'-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenoxyacetohydrazide.

Molecular Properties

Compound NameN'-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenoxyacetohydrazide
PubChem CID3940606
Molecular FormulaC18H16ClN3O4
Molecular Weight373.80 g/mol
Exact Mass373.08
IUPAC NameN'-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenoxyacetohydrazide
SMILESO=C(COc1ccccc1)NNC1CC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C18H16ClN3O4/c19-12-6-8-13(9-7-12)22-17(24)10-15(18(22)25)20-21-16(23)11-26-14-4-2-1-3-5-14/h1-9,15,20H,10-11H2,(H,21,23)
InChIKeyFLPIGTRSRDWZQN-UHFFFAOYSA-N
XLogP1.67
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 51.67
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'}

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Related Compounds

2-(4-chlorophenoxy)-N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]acetohydrazide
CID 4898317
N'-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methylphenoxy)acetohydrazide
CID 1120118
N'-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methoxyphenoxy)acetohydrazide
CID 1120071
N'-[1-(3-chloro-4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-ethylphenoxy)acetohydrazide
CID 3938497
3-chloro-N'-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]benzohydrazide
CID 3780901
N'-[(3S)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-hydroxybutanehydrazide
CID 7025893
(3R)-1-(4-chlorophenyl)-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrrolidine-2,5-dione
CID 671547
N'-[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-nitrobenzohydrazide
CID 5443187
methyl 2-[[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate
CID 710173
N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-hydroxybutanehydrazide
CID 7025869
N'-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]undec-10-enehydrazide
CID 7494358
N'-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]pyridine-4-carbohydrazide
CID 4897530

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenoxyacetohydrazide?
The IUPAC name of N'-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenoxyacetohydrazide (CID 3940606) is N'-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenoxyacetohydrazide.
What is the SMILES notation for N'-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenoxyacetohydrazide?
The canonical SMILES for N'-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenoxyacetohydrazide is O=C(COc1ccccc1)NNC1CC(=O)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of N'-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenoxyacetohydrazide?
The InChIKey is FLPIGTRSRDWZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4/c19-12-6-8-13(9-7-12)22-17(24)10-15(18(22)25)20-21-16(23)11-26-14-4-2-1-3-5-14/h1-9,15,20H,10-11H2,(H,21,23).
What are the key properties of N'-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenoxyacetohydrazide?
N'-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenoxyacetohydrazide has a molecular weight of 373.80 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenoxyacetohydrazide is sourced from PubChem (CID 3940606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).