1-[3-[2-(2-acetylphenyl)hydrazinyl]phenyl]ethanone

C16H16N2O2 — CID 90816188

IUPAC1-[3-[2-(2-acetylphenyl)hydrazinyl]phenyl]ethanone
SMILESCC(=O)c1cccc(NNc2ccccc2C(C)=O)c1
InChIInChI=1S/C16H16N2O2/c1-11(19)13-6-5-7-14(10-13)17-18-16-9-4-3-8-15(16)12(2)20/h3-10,17-18H,1-2H3
InChIKeyWCUOAYJWHWQATP-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.53
Rot. Bonds5

About 1-[3-[2-(2-acetylphenyl)hydrazinyl]phenyl]ethanone

1-[3-[2-(2-acetylphenyl)hydrazinyl]phenyl]ethanone (PubChem CID 90816188) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[3-[2-(2-acetylphenyl)hydrazinyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[2-(2-acetylphenyl)hydrazinyl]phenyl]ethanone
PubChem CID90816188
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-[3-[2-(2-acetylphenyl)hydrazinyl]phenyl]ethanone
SMILESCC(=O)c1cccc(NNc2ccccc2C(C)=O)c1
InChIInChI=1S/C16H16N2O2/c1-11(19)13-6-5-7-14(10-13)17-18-16-9-4-3-8-15(16)12(2)20/h3-10,17-18H,1-2H3
InChIKeyWCUOAYJWHWQATP-UHFFFAOYSA-N
XLogP3.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.53
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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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2-acetylphenyl)hydrazinyl]phenyl]ethanone?
The IUPAC name of 1-[3-[2-(2-acetylphenyl)hydrazinyl]phenyl]ethanone (CID 90816188) is 1-[3-[2-(2-acetylphenyl)hydrazinyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[2-(2-acetylphenyl)hydrazinyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[2-(2-acetylphenyl)hydrazinyl]phenyl]ethanone is CC(=O)c1cccc(NNc2ccccc2C(C)=O)c1.
What is the InChIKey of 1-[3-[2-(2-acetylphenyl)hydrazinyl]phenyl]ethanone?
The InChIKey is WCUOAYJWHWQATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11(19)13-6-5-7-14(10-13)17-18-16-9-4-3-8-15(16)12(2)20/h3-10,17-18H,1-2H3.
What are the key properties of 1-[3-[2-(2-acetylphenyl)hydrazinyl]phenyl]ethanone?
1-[3-[2-(2-acetylphenyl)hydrazinyl]phenyl]ethanone has a molecular weight of 268.32 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2-acetylphenyl)hydrazinyl]phenyl]ethanone is sourced from PubChem (CID 90816188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).