5-(2-aminoanilino)-2-phenyl-3H-isoindol-1-one

C20H17N3O — CID 69390550

IUPAC5-(2-aminoanilino)-2-phenyl-3H-isoindol-1-one
SMILESNc1ccccc1Nc1ccc2c(c1)CN(c1ccccc1)C2=O
InChIInChI=1S/C20H17N3O/c21-18-8-4-5-9-19(18)22-15-10-11-17-14(12-15)13-23(20(17)24)16-6-2-1-3-7-16/h1-12,22H,13,21H2
InChIKeyGRZAGZAQAFSRGK-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.17
Rot. Bonds3

About 5-(2-aminoanilino)-2-phenyl-3H-isoindol-1-one

5-(2-aminoanilino)-2-phenyl-3H-isoindol-1-one (PubChem CID 69390550) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 5-(2-aminoanilino)-2-phenyl-3H-isoindol-1-one.

Molecular Properties

Compound Name5-(2-aminoanilino)-2-phenyl-3H-isoindol-1-one
PubChem CID69390550
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name5-(2-aminoanilino)-2-phenyl-3H-isoindol-1-one
SMILESNc1ccccc1Nc1ccc2c(c1)CN(c1ccccc1)C2=O
InChIInChI=1S/C20H17N3O/c21-18-8-4-5-9-19(18)22-15-10-11-17-14(12-15)13-23(20(17)24)16-6-2-1-3-7-16/h1-12,22H,13,21H2
InChIKeyGRZAGZAQAFSRGK-UHFFFAOYSA-N
XLogP4.17
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2-aminoanilino)-2-phenyl-3H-isoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-Dianilinophthalimide
CID 1697
2-(1,3-Dioxo-1,3-dihydro-isoindol-2-YL)-N-P-tolyl-acetamide
CID 344672
Cgp53353
CID 6711154
2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-phenylacetamide
CID 223985
3-(4-Dimethylaminonaphthalen-1-ylmethylene)-1,3-dihydroindol-2-one
CID 24906291
3-(4-Dimethylamino-naphthalen-1-ylmethylene)-1,3-dihydro-indol-2-one
CID 9839842
3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(3-methylphenyl)propanamide
CID 682204
N-(2,4-Dimethyl-phenyl)-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetamide
CID 2785144
1-(3-methylphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329880
1-(4-methylphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329887
1-(3-ethylphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329891
1-(3,4-dimethylphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329895

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoanilino)-2-phenyl-3H-isoindol-1-one?
The IUPAC name of 5-(2-aminoanilino)-2-phenyl-3H-isoindol-1-one (CID 69390550) is 5-(2-aminoanilino)-2-phenyl-3H-isoindol-1-one.
What is the SMILES notation for 5-(2-aminoanilino)-2-phenyl-3H-isoindol-1-one?
The canonical SMILES for 5-(2-aminoanilino)-2-phenyl-3H-isoindol-1-one is Nc1ccccc1Nc1ccc2c(c1)CN(c1ccccc1)C2=O.
What is the InChIKey of 5-(2-aminoanilino)-2-phenyl-3H-isoindol-1-one?
The InChIKey is GRZAGZAQAFSRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c21-18-8-4-5-9-19(18)22-15-10-11-17-14(12-15)13-23(20(17)24)16-6-2-1-3-7-16/h1-12,22H,13,21H2.
What are the key properties of 5-(2-aminoanilino)-2-phenyl-3H-isoindol-1-one?
5-(2-aminoanilino)-2-phenyl-3H-isoindol-1-one has a molecular weight of 315.38 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoanilino)-2-phenyl-3H-isoindol-1-one is sourced from PubChem (CID 69390550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).