N-(3-acetylphenyl)-3,6-dimethyl-1H-indole-2-carboxamide

C19H18N2O2 — CID 113205056

IUPACN-(3-acetylphenyl)-3,6-dimethyl-1H-indole-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2[nH]c3cc(C)ccc3c2C)c1
InChIInChI=1S/C19H18N2O2/c1-11-7-8-16-12(2)18(21-17(16)9-11)19(23)20-15-6-4-5-14(10-15)13(3)22/h4-10,21H,1-3H3,(H,20,23)
InChIKeyVNDKFQISFHPKFY-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.24
Rot. Bonds3

About N-(3-acetylphenyl)-3,6-dimethyl-1H-indole-2-carboxamide

N-(3-acetylphenyl)-3,6-dimethyl-1H-indole-2-carboxamide (PubChem CID 113205056) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3,6-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3,6-dimethyl-1H-indole-2-carboxamide
PubChem CID113205056
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-(3-acetylphenyl)-3,6-dimethyl-1H-indole-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2[nH]c3cc(C)ccc3c2C)c1
InChIInChI=1S/C19H18N2O2/c1-11-7-8-16-12(2)18(21-17(16)9-11)19(23)20-15-6-4-5-14(10-15)13(3)22/h4-10,21H,1-3H3,(H,20,23)
InChIKeyVNDKFQISFHPKFY-UHFFFAOYSA-N
XLogP4.24
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.24
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-methyl-1H-indole-2-carboxamide
CID 110861099
N-(3-acetylphenyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113205511
3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide
CID 113204253
N-(3-acetylphenyl)-3,5-dimethylbenzamide
CID 969392
N-(3-acetamidophenyl)-5-chloro-3-methyl-1H-indole-2-carboxamide
CID 113204770
3,5-dimethyl-N-pyridin-3-yl-1H-indole-2-carboxamide
CID 84579294
N-(2,4-dimethylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204258
methyl 3-[(6-methyl-1H-indole-2-carbonyl)amino]benzoate
CID 113207378
N-(3-acetylphenyl)-6-methyl-4-oxochromene-2-carboxamide
CID 16648984
N-(3-acetylphenyl)-6-methyl-1-benzofuran-2-carboxamide
CID 84577090
6-chloro-N-(3,4-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113205346
N-(2-hydroxyphenyl)-3,5-dimethyl-1H-indole-2-carboxamide
CID 84578341

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3,6-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-3,6-dimethyl-1H-indole-2-carboxamide (CID 113205056) is N-(3-acetylphenyl)-3,6-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-3,6-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-3,6-dimethyl-1H-indole-2-carboxamide is CC(=O)c1cccc(NC(=O)c2[nH]c3cc(C)ccc3c2C)c1.
What is the InChIKey of N-(3-acetylphenyl)-3,6-dimethyl-1H-indole-2-carboxamide?
The InChIKey is VNDKFQISFHPKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-11-7-8-16-12(2)18(21-17(16)9-11)19(23)20-15-6-4-5-14(10-15)13(3)22/h4-10,21H,1-3H3,(H,20,23).
What are the key properties of N-(3-acetylphenyl)-3,6-dimethyl-1H-indole-2-carboxamide?
N-(3-acetylphenyl)-3,6-dimethyl-1H-indole-2-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3,6-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 113205056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).