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

C18H20N2O2 — CID 849706

IUPAC4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
SMILESCc1cc2c(n1-c1ccc(C(N)=O)cc1)CC(C)(C)CC2=O
InChIInChI=1S/C18H20N2O2/c1-11-8-14-15(9-18(2,3)10-16(14)21)20(11)13-6-4-12(5-7-13)17(19)22/h4-8H,9-10H2,1-3H3,(H2,19,22)
InChIKeyDGGDKWPNFSCGSD-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.04
Rot. Bonds2

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

4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide (PubChem CID 849706) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide.

Molecular Properties

Compound Name4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
PubChem CID849706
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
SMILESCc1cc2c(n1-c1ccc(C(N)=O)cc1)CC(C)(C)CC2=O
InChIInChI=1S/C18H20N2O2/c1-11-8-14-15(9-18(2,3)10-16(14)21)20(11)13-6-4-12(5-7-13)17(19)22/h4-8H,9-10H2,1-3H3,(H2,19,22)
InChIKeyDGGDKWPNFSCGSD-UHFFFAOYSA-N
XLogP3.04
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The IUPAC name of 4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide (CID 849706) is 4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide.
What is the SMILES notation for 4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The canonical SMILES for 4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide is Cc1cc2c(n1-c1ccc(C(N)=O)cc1)CC(C)(C)CC2=O.
What is the InChIKey of 4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The InChIKey is DGGDKWPNFSCGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-11-8-14-15(9-18(2,3)10-16(14)21)20(11)13-6-4-12(5-7-13)17(19)22/h4-8H,9-10H2,1-3H3,(H2,19,22).
What are the key properties of 4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide has a molecular weight of 296.37 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide is sourced from PubChem (CID 849706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).