1-[4-[[3-(4-acetylphenyl)iminoisoindol-1-yl]amino]phenyl]ethanone

C24H19N3O2 — CID 2303037

IUPAC1-[4-[[3-(4-acetylphenyl)iminoisoindol-1-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(/N=C2\N=C(Nc3ccc(C(C)=O)cc3)c3ccccc32)cc1
InChIInChI=1S/C24H19N3O2/c1-15(28)17-7-11-19(12-8-17)25-23-21-5-3-4-6-22(21)24(27-23)26-20-13-9-18(10-14-20)16(2)29/h3-14H,1-2H3,(H,25,26,27)
InChIKeyKCQOUJHIYKGHEN-UHFFFAOYSA-N
MW381.44 g/mol
LogP5.04
Rot. Bonds4

About 1-[4-[[3-(4-acetylphenyl)iminoisoindol-1-yl]amino]phenyl]ethanone

1-[4-[[3-(4-acetylphenyl)iminoisoindol-1-yl]amino]phenyl]ethanone (PubChem CID 2303037) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 1-[4-[[3-(4-acetylphenyl)iminoisoindol-1-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[3-(4-acetylphenyl)iminoisoindol-1-yl]amino]phenyl]ethanone
PubChem CID2303037
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name1-[4-[[3-(4-acetylphenyl)iminoisoindol-1-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(/N=C2\N=C(Nc3ccc(C(C)=O)cc3)c3ccccc32)cc1
InChIInChI=1S/C24H19N3O2/c1-15(28)17-7-11-19(12-8-17)25-23-21-5-3-4-6-22(21)24(27-23)26-20-13-9-18(10-14-20)16(2)29/h3-14H,1-2H3,(H,25,26,27)
InChIKeyKCQOUJHIYKGHEN-UHFFFAOYSA-N
XLogP5.04
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.44
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-[[3-(4-acetylphenyl)iminoisoindol-1-yl]amino]phenyl]ethanone with MolForge

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Related Compounds

N-[6-(4-acetylanilino)-3-pyridinyl]-2-methylbenzamide
CID 113020395
1-[4-[[6-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866665
1-[4-(2-aminoanilino)phenyl]ethanone
CID 82287828
1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone
CID 25259117
ethane;1-(4-phenyldiazenylphenyl)ethanone
CID 165138177
1-[4-(4-bromoanilino)phenyl]ethanone
CID 11543832
1-[6-(4-acetylanilino)pyridazin-3-yl]-3-phenylurea
CID 113049173
1-[4-(pyrimidin-4-ylamino)phenyl]ethanone
CID 115028223
1-[4-[(E)-2-(4-acetylphenyl)-1,2-diphenylethenyl]phenyl]ethanone
CID 10669604
N-[6-(4-acetylanilino)pyridazin-3-yl]butanamide
CID 113049122
1-[4-[4-(dimethylamino)anilino]phenyl]ethanone
CID 82536662
1-[4-[[4-[[4-(ethylamino)phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone
CID 134216733

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(4-acetylphenyl)iminoisoindol-1-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[4-[[3-(4-acetylphenyl)iminoisoindol-1-yl]amino]phenyl]ethanone (CID 2303037) is 1-[4-[[3-(4-acetylphenyl)iminoisoindol-1-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[3-(4-acetylphenyl)iminoisoindol-1-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[[3-(4-acetylphenyl)iminoisoindol-1-yl]amino]phenyl]ethanone is CC(=O)c1ccc(/N=C2\N=C(Nc3ccc(C(C)=O)cc3)c3ccccc32)cc1.
What is the InChIKey of 1-[4-[[3-(4-acetylphenyl)iminoisoindol-1-yl]amino]phenyl]ethanone?
The InChIKey is KCQOUJHIYKGHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c1-15(28)17-7-11-19(12-8-17)25-23-21-5-3-4-6-22(21)24(27-23)26-20-13-9-18(10-14-20)16(2)29/h3-14H,1-2H3,(H,25,26,27).
What are the key properties of 1-[4-[[3-(4-acetylphenyl)iminoisoindol-1-yl]amino]phenyl]ethanone?
1-[4-[[3-(4-acetylphenyl)iminoisoindol-1-yl]amino]phenyl]ethanone has a molecular weight of 381.44 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(4-acetylphenyl)iminoisoindol-1-yl]amino]phenyl]ethanone is sourced from PubChem (CID 2303037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).