1-[3-[[4-[(3-acetylphenyl)iminomethyl]phenyl]methylideneamino]phenyl]ethanone

C24H20N2O2 — CID 1272171

IUPAC1-[3-[[4-[(3-acetylphenyl)iminomethyl]phenyl]methylideneamino]phenyl]ethanone
SMILESCC(=O)c1cccc(/N=C/c2ccc(/C=N/c3cccc(C(C)=O)c3)cc2)c1
InChIInChI=1S/C24H20N2O2/c1-17(27)21-5-3-7-23(13-21)25-15-19-9-11-20(12-10-19)16-26-24-8-4-6-22(14-24)18(2)28/h3-16H,1-2H3/b25-15+,26-16+
InChIKeyKZQODOHARGJSDF-RYQLWAFASA-N
MW368.44 g/mol
LogP5.59
Rot. Bonds6

About 1-[3-[[4-[(3-acetylphenyl)iminomethyl]phenyl]methylideneamino]phenyl]ethanone

1-[3-[[4-[(3-acetylphenyl)iminomethyl]phenyl]methylideneamino]phenyl]ethanone (PubChem CID 1272171) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[3-[[4-[(3-acetylphenyl)iminomethyl]phenyl]methylideneamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[4-[(3-acetylphenyl)iminomethyl]phenyl]methylideneamino]phenyl]ethanone
PubChem CID1272171
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name1-[3-[[4-[(3-acetylphenyl)iminomethyl]phenyl]methylideneamino]phenyl]ethanone
SMILESCC(=O)c1cccc(/N=C/c2ccc(/C=N/c3cccc(C(C)=O)c3)cc2)c1
InChIInChI=1S/C24H20N2O2/c1-17(27)21-5-3-7-23(13-21)25-15-19-9-11-20(12-10-19)16-26-24-8-4-6-22(14-24)18(2)28/h3-16H,1-2H3/b25-15+,26-16+
InChIKeyKZQODOHARGJSDF-RYQLWAFASA-N
XLogP5.59
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(4-hydroxyphenyl)methylideneamino]phenyl]ethanone
CID 135406080
1-[3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]ethanone
CID 831103
1-[3-[(4-hydroxy-3-iodophenyl)methylideneamino]phenyl]ethanone
CID 137151967
2-[4-[(3-acetylphenyl)iminomethyl]phenoxy]propanoic acid
CID 44714907
1-[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]ethanone
CID 135595395
1-[3-[(2,5-dimethoxyphenyl)methylideneamino]phenyl]ethanone
CID 874944
1-[3-[(2-ethoxyphenyl)methylideneamino]phenyl]ethanone
CID 693758
1-[3-[[(E)-2-bromo-3-phenylprop-2-enylidene]amino]phenyl]ethanone
CID 21177369
1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]ethanone
CID 540985
1-[3-[(1-methylindol-3-yl)methylideneamino]phenyl]ethanone
CID 23476824
3-(4-bromophenyl)-1-[3-[(4-bromophenyl)methylideneamino]phenyl]prop-2-en-1-one
CID 3846238
1-[3-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]ethanone
CID 3587554

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-[(3-acetylphenyl)iminomethyl]phenyl]methylideneamino]phenyl]ethanone?
The IUPAC name of 1-[3-[[4-[(3-acetylphenyl)iminomethyl]phenyl]methylideneamino]phenyl]ethanone (CID 1272171) is 1-[3-[[4-[(3-acetylphenyl)iminomethyl]phenyl]methylideneamino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[4-[(3-acetylphenyl)iminomethyl]phenyl]methylideneamino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[4-[(3-acetylphenyl)iminomethyl]phenyl]methylideneamino]phenyl]ethanone is CC(=O)c1cccc(/N=C/c2ccc(/C=N/c3cccc(C(C)=O)c3)cc2)c1.
What is the InChIKey of 1-[3-[[4-[(3-acetylphenyl)iminomethyl]phenyl]methylideneamino]phenyl]ethanone?
The InChIKey is KZQODOHARGJSDF-RYQLWAFASA-N. The full InChI is InChI=1S/C24H20N2O2/c1-17(27)21-5-3-7-23(13-21)25-15-19-9-11-20(12-10-19)16-26-24-8-4-6-22(14-24)18(2)28/h3-16H,1-2H3/b25-15+,26-16+.
What are the key properties of 1-[3-[[4-[(3-acetylphenyl)iminomethyl]phenyl]methylideneamino]phenyl]ethanone?
1-[3-[[4-[(3-acetylphenyl)iminomethyl]phenyl]methylideneamino]phenyl]ethanone has a molecular weight of 368.44 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-[(3-acetylphenyl)iminomethyl]phenyl]methylideneamino]phenyl]ethanone is sourced from PubChem (CID 1272171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).