3-chloro-N'-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]benzohydrazide

C23H18ClN3O4 — CID 3780901

IUPAC3-chloro-N'-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]benzohydrazide
SMILESO=C(NNC1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O)c1cccc(Cl)c1
InChIInChI=1S/C23H18ClN3O4/c24-16-6-4-5-15(13-16)22(29)26-25-20-14-21(28)27(23(20)30)17-9-11-19(12-10-17)31-18-7-2-1-3-8-18/h1-13,20,25H,14H2,(H,26,29)
InChIKeyUDHJYJQVMUIEKN-UHFFFAOYSA-N
MW435.87 g/mol
LogP3.70
Rot. Bonds6

About 3-chloro-N'-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]benzohydrazide

3-chloro-N'-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]benzohydrazide (PubChem CID 3780901) has the molecular formula C23H18ClN3O4 and a molecular weight of 435.87 g/mol. Its IUPAC name is 3-chloro-N'-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]benzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]benzohydrazide
PubChem CID3780901
Molecular FormulaC23H18ClN3O4
Molecular Weight435.87 g/mol
Exact Mass435.10
IUPAC Name3-chloro-N'-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]benzohydrazide
SMILESO=C(NNC1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O)c1cccc(Cl)c1
InChIInChI=1S/C23H18ClN3O4/c24-16-6-4-5-15(13-16)22(29)26-25-20-14-21(28)27(23(20)30)17-9-11-19(12-10-17)31-18-7-2-1-3-8-18/h1-13,20,25H,14H2,(H,26,29)
InChIKeyUDHJYJQVMUIEKN-UHFFFAOYSA-N
XLogP3.70
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.87
LogP ≤ 53.70
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

N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 2119938
N'-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]pyridine-4-carbohydrazide
CID 4897530
N'-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methylbenzohydrazide
CID 4972953
N'-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenoxyacetohydrazide
CID 3940606
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
N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide
CID 686395
2-hydroxy-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 1213098
N'-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 3768777
[2-oxo-2-(4-phenylphenyl)ethyl] 4-[3-[2-(naphthalene-2-carbonyl)hydrazinyl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 21171413
N'-[(3S)-1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl]-4-propoxybenzohydrazide
CID 2119955
N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-hydroxybutanehydrazide
CID 7025869

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]benzohydrazide?
The IUPAC name of 3-chloro-N'-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]benzohydrazide (CID 3780901) is 3-chloro-N'-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]benzohydrazide.
What is the SMILES notation for 3-chloro-N'-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]benzohydrazide?
The canonical SMILES for 3-chloro-N'-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]benzohydrazide is O=C(NNC1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N'-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]benzohydrazide?
The InChIKey is UDHJYJQVMUIEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O4/c24-16-6-4-5-15(13-16)22(29)26-25-20-14-21(28)27(23(20)30)17-9-11-19(12-10-17)31-18-7-2-1-3-8-18/h1-13,20,25H,14H2,(H,26,29).
What are the key properties of 3-chloro-N'-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]benzohydrazide?
3-chloro-N'-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]benzohydrazide has a molecular weight of 435.87 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]benzohydrazide is sourced from PubChem (CID 3780901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).