2-anilino-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide

C24H25N3O2 — CID 11855747

IUPAC2-anilino-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
SMILESCc1cc2c(n1-c1ccc(C(N)=O)c(Nc3ccccc3)c1)CC(C)(C)CC2=O
InChIInChI=1S/C24H25N3O2/c1-15-11-19-21(13-24(2,3)14-22(19)28)27(15)17-9-10-18(23(25)29)20(12-17)26-16-7-5-4-6-8-16/h4-12,26H,13-14H2,1-3H3,(H2,25,29)
InChIKeyKWNGVSPUISEBNI-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.78
Rot. Bonds4

About 2-anilino-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide

2-anilino-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide (PubChem CID 11855747) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-anilino-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide.

Molecular Properties

Compound Name2-anilino-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
PubChem CID11855747
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name2-anilino-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
SMILESCc1cc2c(n1-c1ccc(C(N)=O)c(Nc3ccccc3)c1)CC(C)(C)CC2=O
InChIInChI=1S/C24H25N3O2/c1-15-11-19-21(13-24(2,3)14-22(19)28)27(15)17-9-10-18(23(25)29)20(12-17)26-16-7-5-4-6-8-16/h4-12,26H,13-14H2,1-3H3,(H2,25,29)
InChIKeyKWNGVSPUISEBNI-UHFFFAOYSA-N
XLogP4.78
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The IUPAC name of 2-anilino-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide (CID 11855747) is 2-anilino-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide.
What is the SMILES notation for 2-anilino-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The canonical SMILES for 2-anilino-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide is Cc1cc2c(n1-c1ccc(C(N)=O)c(Nc3ccccc3)c1)CC(C)(C)CC2=O.
What is the InChIKey of 2-anilino-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The InChIKey is KWNGVSPUISEBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-15-11-19-21(13-24(2,3)14-22(19)28)27(15)17-9-10-18(23(25)29)20(12-17)26-16-7-5-4-6-8-16/h4-12,26H,13-14H2,1-3H3,(H2,25,29).
What are the key properties of 2-anilino-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
2-anilino-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide has a molecular weight of 387.48 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide is sourced from PubChem (CID 11855747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).