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

C19H22N2O2 — CID 11856028

IUPAC2-methyl-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
SMILESCc1cc(-n2c(C)cc3c2CC(C)(C)CC3=O)ccc1C(N)=O
InChIInChI=1S/C19H22N2O2/c1-11-7-13(5-6-14(11)18(20)23)21-12(2)8-15-16(21)9-19(3,4)10-17(15)22/h5-8H,9-10H2,1-4H3,(H2,20,23)
InChIKeyKSQOEFUCGDOXAQ-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.35
Rot. Bonds2

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

2-methyl-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide (PubChem CID 11856028) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-methyl-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide.

Molecular Properties

Compound Name2-methyl-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
PubChem CID11856028
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-methyl-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
SMILESCc1cc(-n2c(C)cc3c2CC(C)(C)CC3=O)ccc1C(N)=O
InChIInChI=1S/C19H22N2O2/c1-11-7-13(5-6-14(11)18(20)23)21-12(2)8-15-16(21)9-19(3,4)10-17(15)22/h5-8H,9-10H2,1-4H3,(H2,20,23)
InChIKeyKSQOEFUCGDOXAQ-UHFFFAOYSA-N
XLogP3.35
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.35
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 2-methyl-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The IUPAC name of 2-methyl-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide (CID 11856028) is 2-methyl-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide.
What is the SMILES notation for 2-methyl-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The canonical SMILES for 2-methyl-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide is Cc1cc(-n2c(C)cc3c2CC(C)(C)CC3=O)ccc1C(N)=O.
What is the InChIKey of 2-methyl-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The InChIKey is KSQOEFUCGDOXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-11-7-13(5-6-14(11)18(20)23)21-12(2)8-15-16(21)9-19(3,4)10-17(15)22/h5-8H,9-10H2,1-4H3,(H2,20,23).
What are the key properties of 2-methyl-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
2-methyl-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide has a molecular weight of 310.40 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide is sourced from PubChem (CID 11856028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).