[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylpropanoate

C13H15ClN2O4 — CID 7782405

IUPAC[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylpropanoate
SMILESCC(C)C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN2O4/c1-8(2)13(19)20-7-11(17)15-16-12(18)9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyNZCGIPYOUWQRDU-UHFFFAOYSA-N
MW298.73 g/mol
LogP1.30
Rot. Bonds4

About [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylpropanoate

[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylpropanoate (PubChem CID 7782405) has the molecular formula C13H15ClN2O4 and a molecular weight of 298.73 g/mol. Its IUPAC name is [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylpropanoate.

Molecular Properties

Compound Name[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylpropanoate
PubChem CID7782405
Molecular FormulaC13H15ClN2O4
Molecular Weight298.73 g/mol
Exact Mass298.07
IUPAC Name[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylpropanoate
SMILESCC(C)C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN2O4/c1-8(2)13(19)20-7-11(17)15-16-12(18)9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyNZCGIPYOUWQRDU-UHFFFAOYSA-N
XLogP1.30
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 51.30
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

[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate
CID 7806441
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate
CID 7806440
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
CID 8985692
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-acetamidobenzoate
CID 7949789
[2-(2-benzoylhydrazinyl)-2-oxoethyl] (2R,3S)-2-[(4-chlorophenyl)sulfonylamino]-3-hydroxybutanoate
CID 2430695
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 18289074
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 7838369
N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide
CID 8621672
N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
CID 4936719
1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide
CID 3361883
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate
CID 7801038
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 7853731

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylpropanoate?
The IUPAC name of [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylpropanoate (CID 7782405) is [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylpropanoate.
What is the SMILES notation for [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylpropanoate?
The canonical SMILES for [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylpropanoate is CC(C)C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylpropanoate?
The InChIKey is NZCGIPYOUWQRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4/c1-8(2)13(19)20-7-11(17)15-16-12(18)9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylpropanoate?
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylpropanoate has a molecular weight of 298.73 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylpropanoate is sourced from PubChem (CID 7782405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).