N-(4-acetylphenyl)-5-methyl-1H-indole-2-carboxamide

C18H16N2O2 — CID 110861116

IUPACN-(4-acetylphenyl)-5-methyl-1H-indole-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc3cc(C)ccc3[nH]2)cc1
InChIInChI=1S/C18H16N2O2/c1-11-3-8-16-14(9-11)10-17(20-16)18(22)19-15-6-4-13(5-7-15)12(2)21/h3-10,20H,1-2H3,(H,19,22)
InChIKeyDSPSENFNEWARCD-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.93
Rot. Bonds3

About N-(4-acetylphenyl)-5-methyl-1H-indole-2-carboxamide

N-(4-acetylphenyl)-5-methyl-1H-indole-2-carboxamide (PubChem CID 110861116) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-methyl-1H-indole-2-carboxamide
PubChem CID110861116
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC NameN-(4-acetylphenyl)-5-methyl-1H-indole-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc3cc(C)ccc3[nH]2)cc1
InChIInChI=1S/C18H16N2O2/c1-11-3-8-16-14(9-11)10-17(20-16)18(22)19-15-6-4-13(5-7-15)12(2)21/h3-10,20H,1-2H3,(H,19,22)
InChIKeyDSPSENFNEWARCD-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

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Related Compounds

5-methyl-N-phenyl-1H-indole-2-carboxamide
CID 3254922
5-[(4-acetylbenzoyl)amino]-1H-indole-2-carboxylic acid
CID 59365027
N-(4-acetamido-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide
CID 46550602
5-acetyl-N-[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide
CID 134285576
N-(4-acetylphenyl)-5-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-1H-indole-2-carboxamide
CID 123401277
N-(4-bromo-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide
CID 113207145
N-[4-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-6-methyl-1H-indole-2-carboxamide
CID 123184653
(5-methyl-1H-indol-2-yl)-(4-methylphenyl)methanone
CID 59088766
N-(4-carbamoylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 46557885
6-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 113207376
5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide
CID 4011828
5-methyl-N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 46475216

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-5-methyl-1H-indole-2-carboxamide (CID 110861116) is N-(4-acetylphenyl)-5-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-5-methyl-1H-indole-2-carboxamide is CC(=O)c1ccc(NC(=O)c2cc3cc(C)ccc3[nH]2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-5-methyl-1H-indole-2-carboxamide?
The InChIKey is DSPSENFNEWARCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-11-3-8-16-14(9-11)10-17(20-16)18(22)19-15-6-4-13(5-7-15)12(2)21/h3-10,20H,1-2H3,(H,19,22).
What are the key properties of N-(4-acetylphenyl)-5-methyl-1H-indole-2-carboxamide?
N-(4-acetylphenyl)-5-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-(4-acetylphenyl)-5-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 110861116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).