[2-oxo-2-(4-phenylphenyl)ethyl] 4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutanoate

C25H21ClN2O5 — CID 19644736

IUPAC[2-oxo-2-(4-phenylphenyl)ethyl] 4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutanoate
SMILESO=C(CCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C25H21ClN2O5/c26-21-9-5-4-8-20(21)25(32)28-27-23(30)14-15-24(31)33-16-22(29)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-13H,14-16H2,(H,27,30)(H,28,32)
InChIKeySHQKNTOPSFQQEZ-UHFFFAOYSA-N
MW464.91 g/mol
LogP3.97
Rot. Bonds8

About [2-oxo-2-(4-phenylphenyl)ethyl] 4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutanoate

[2-oxo-2-(4-phenylphenyl)ethyl] 4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutanoate (PubChem CID 19644736) has the molecular formula C25H21ClN2O5 and a molecular weight of 464.91 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylphenyl)ethyl] 4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutanoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylphenyl)ethyl] 4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutanoate
PubChem CID19644736
Molecular FormulaC25H21ClN2O5
Molecular Weight464.91 g/mol
Exact Mass464.11
IUPAC Name[2-oxo-2-(4-phenylphenyl)ethyl] 4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutanoate
SMILESO=C(CCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C25H21ClN2O5/c26-21-9-5-4-8-20(21)25(32)28-27-23(30)14-15-24(31)33-16-22(29)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-13H,14-16H2,(H,27,30)(H,28,32)
InChIKeySHQKNTOPSFQQEZ-UHFFFAOYSA-N
XLogP3.97
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.91
LogP ≤ 53.97
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

[2-(3,4-dimethylphenyl)-2-oxoethyl] 4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutanoate
CID 19644735
methyl 4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutanoate
CID 4511035
1-O-methyl 4-O-[2-oxo-2-(4-phenylphenyl)ethyl] butanedioate
CID 19132591
(2-anilino-2-oxoethyl) 4-oxo-4-(4-phenylphenyl)butanoate
CID 8971115
[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-chlorobenzoate
CID 9067593
2-chloro-N'-[4-oxo-4-(4-propylphenyl)butanoyl]benzohydrazide
CID 9339826
N'-[3-(2-chlorophenyl)propanoyl]-4-phenylbenzohydrazide
CID 17179113
[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-(2-chloroanilino)-4-oxobutanoate
CID 17258492
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutanoate
CID 17260595
[2-oxo-2-(4-phenylphenyl)ethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 7841014
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate
CID 8971558
[2-(4-methoxyphenyl)-2-oxoethyl] 5-(2-benzoylhydrazinyl)-5-oxopentanoate
CID 17261455

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutanoate?
The IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutanoate (CID 19644736) is [2-oxo-2-(4-phenylphenyl)ethyl] 4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutanoate.
What is the SMILES notation for [2-oxo-2-(4-phenylphenyl)ethyl] 4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutanoate?
The canonical SMILES for [2-oxo-2-(4-phenylphenyl)ethyl] 4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutanoate is O=C(CCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1)NNC(=O)c1ccccc1Cl.
What is the InChIKey of [2-oxo-2-(4-phenylphenyl)ethyl] 4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutanoate?
The InChIKey is SHQKNTOPSFQQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O5/c26-21-9-5-4-8-20(21)25(32)28-27-23(30)14-15-24(31)33-16-22(29)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-13H,14-16H2,(H,27,30)(H,28,32).
What are the key properties of [2-oxo-2-(4-phenylphenyl)ethyl] 4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutanoate?
[2-oxo-2-(4-phenylphenyl)ethyl] 4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutanoate has a molecular weight of 464.91 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylphenyl)ethyl] 4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutanoate is sourced from PubChem (CID 19644736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).