N-(3-acetylphenyl)-3-methyl-1H-indole-2-carboxamide

C18H16N2O2 — CID 110861099

IUPACN-(3-acetylphenyl)-3-methyl-1H-indole-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2[nH]c3ccccc3c2C)c1
InChIInChI=1S/C18H16N2O2/c1-11-15-8-3-4-9-16(15)20-17(11)18(22)19-14-7-5-6-13(10-14)12(2)21/h3-10,20H,1-2H3,(H,19,22)
InChIKeyNCMVDKRWOQOIFN-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.93
Rot. Bonds3

About N-(3-acetylphenyl)-3-methyl-1H-indole-2-carboxamide

N-(3-acetylphenyl)-3-methyl-1H-indole-2-carboxamide (PubChem CID 110861099) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-methyl-1H-indole-2-carboxamide
PubChem CID110861099
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC NameN-(3-acetylphenyl)-3-methyl-1H-indole-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2[nH]c3ccccc3c2C)c1
InChIInChI=1S/C18H16N2O2/c1-11-15-8-3-4-9-16(15)20-17(11)18(22)19-14-7-5-6-13(10-14)12(2)21/h3-10,20H,1-2H3,(H,19,22)
InChIKeyNCMVDKRWOQOIFN-UHFFFAOYSA-N
XLogP3.93
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetylphenyl)-3,6-dimethyl-1H-indole-2-carboxamide
CID 113205056
3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide
CID 113204253
N-(3-acetylphenyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113205511
N-(3-acetamidophenyl)-5-chloro-3-methyl-1H-indole-2-carboxamide
CID 113204770
N-(2,4-dimethylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204258
N-(3-acetylphenyl)-1H-benzimidazole-2-carboxamide
CID 110468819
N-(3-acetylphenyl)-3,5-dimethylbenzamide
CID 969392
N-(2-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204283
3-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]benzoic acid
CID 23474692
3-methyl-N-[(3-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 113204204
N-(3-chlorophenyl)-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 24948900
4-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 24951306

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-3-methyl-1H-indole-2-carboxamide (CID 110861099) is N-(3-acetylphenyl)-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-3-methyl-1H-indole-2-carboxamide is CC(=O)c1cccc(NC(=O)c2[nH]c3ccccc3c2C)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-methyl-1H-indole-2-carboxamide?
The InChIKey is NCMVDKRWOQOIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-11-15-8-3-4-9-16(15)20-17(11)18(22)19-14-7-5-6-13(10-14)12(2)21/h3-10,20H,1-2H3,(H,19,22).
What are the key properties of N-(3-acetylphenyl)-3-methyl-1H-indole-2-carboxamide?
N-(3-acetylphenyl)-3-methyl-1H-indole-2-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 110861099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).