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

C25H25N3O3 — CID 66953025

IUPAC2-benzamido-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
SMILESCc1cc2c(n1-c1ccc(C(N)=O)c(NC(=O)c3ccccc3)c1)CC(C)(C)CC2=O
InChIInChI=1S/C25H25N3O3/c1-15-11-19-21(13-25(2,3)14-22(19)29)28(15)17-9-10-18(23(26)30)20(12-17)27-24(31)16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H2,26,30)(H,27,31)
InChIKeyFWWJGYPEOFWUQC-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.29
Rot. Bonds4

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

2-benzamido-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide (PubChem CID 66953025) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-benzamido-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide.

Molecular Properties

Compound Name2-benzamido-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
PubChem CID66953025
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name2-benzamido-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
SMILESCc1cc2c(n1-c1ccc(C(N)=O)c(NC(=O)c3ccccc3)c1)CC(C)(C)CC2=O
InChIInChI=1S/C25H25N3O3/c1-15-11-19-21(13-25(2,3)14-22(19)29)28(15)17-9-10-18(23(26)30)20(12-17)27-24(31)16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H2,26,30)(H,27,31)
InChIKeyFWWJGYPEOFWUQC-UHFFFAOYSA-N
XLogP4.29
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.29
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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Related Compounds

4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzene-1,2-dicarboxamide
CID 66953002
2-methyl-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
CID 11856028
2-(pyridin-4-ylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
CID 66952813
2-[2-(dimethylamino)ethylamino]-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
CID 66952851
2-(3,4-dimethoxyanilino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
CID 66952930
2-(2-methoxypropylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
CID 67270809
2-(3-hydroxy-4-methoxyanilino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
CID 66952809
4-(2-hydroxy-6,6-dimethyl-4-oxo-5,7-dihydroindol-1-yl)-2-(oxan-4-ylamino)benzamide
CID 91523991
1-(3,4-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 3247774
1-(4-fluoro-3-methylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 63467131
1-(3,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 5267549
2,3-difluoro-N'-hydroxy-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzenecarboximidamide
CID 90921341

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The IUPAC name of 2-benzamido-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide (CID 66953025) is 2-benzamido-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide.
What is the SMILES notation for 2-benzamido-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The canonical SMILES for 2-benzamido-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide is Cc1cc2c(n1-c1ccc(C(N)=O)c(NC(=O)c3ccccc3)c1)CC(C)(C)CC2=O.
What is the InChIKey of 2-benzamido-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The InChIKey is FWWJGYPEOFWUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-15-11-19-21(13-25(2,3)14-22(19)29)28(15)17-9-10-18(23(26)30)20(12-17)27-24(31)16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H2,26,30)(H,27,31).
What are the key properties of 2-benzamido-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
2-benzamido-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide has a molecular weight of 415.49 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide is sourced from PubChem (CID 66953025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).