N-(2-hydroxyphenyl)-3,5-dimethyl-1H-indole-2-carboxamide

C17H16N2O2 — CID 84578341

IUPACN-(2-hydroxyphenyl)-3,5-dimethyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)Nc3ccccc3O)c(C)c2c1
InChIInChI=1S/C17H16N2O2/c1-10-7-8-13-12(9-10)11(2)16(18-13)17(21)19-14-5-3-4-6-15(14)20/h3-9,18,20H,1-2H3,(H,19,21)
InChIKeyGKDMSEDSDMNCHR-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.74
Rot. Bonds2

About N-(2-hydroxyphenyl)-3,5-dimethyl-1H-indole-2-carboxamide

N-(2-hydroxyphenyl)-3,5-dimethyl-1H-indole-2-carboxamide (PubChem CID 84578341) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-3,5-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-3,5-dimethyl-1H-indole-2-carboxamide
PubChem CID84578341
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-(2-hydroxyphenyl)-3,5-dimethyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)Nc3ccccc3O)c(C)c2c1
InChIInChI=1S/C17H16N2O2/c1-10-7-8-13-12(9-10)11(2)16(18-13)17(21)19-14-5-3-4-6-15(14)20/h3-9,18,20H,1-2H3,(H,19,21)
InChIKeyGKDMSEDSDMNCHR-UHFFFAOYSA-N
XLogP3.74
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylphenyl)-3,5-dimethyl-1H-indole-2-carboxamide
CID 84578289
N-(2,4-dimethylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204258
3,5-dimethyl-N-pyridin-3-yl-1H-indole-2-carboxamide
CID 84579294
methyl 2-[(5-methoxy-3-methyl-1H-indole-2-carbonyl)amino]benzoate
CID 113204904
5-fluoro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204627
3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 84578399
3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide
CID 113204253
N-(2-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204283
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethyl-1H-indole-2-carboxamide
CID 84578480
5-fluoro-3-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-2-carboxamide
CID 113204648
N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3,5-dimethyl-1H-indole-2-carboxamide
CID 70718086
3,5-dimethyl-N-[2-(methylsulfamoyl)ethyl]-1H-indole-2-carboxamide
CID 70730395

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-3,5-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-3,5-dimethyl-1H-indole-2-carboxamide (CID 84578341) is N-(2-hydroxyphenyl)-3,5-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-3,5-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-3,5-dimethyl-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)Nc3ccccc3O)c(C)c2c1.
What is the InChIKey of N-(2-hydroxyphenyl)-3,5-dimethyl-1H-indole-2-carboxamide?
The InChIKey is GKDMSEDSDMNCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-10-7-8-13-12(9-10)11(2)16(18-13)17(21)19-14-5-3-4-6-15(14)20/h3-9,18,20H,1-2H3,(H,19,21).
What are the key properties of N-(2-hydroxyphenyl)-3,5-dimethyl-1H-indole-2-carboxamide?
N-(2-hydroxyphenyl)-3,5-dimethyl-1H-indole-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 3.74, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-3,5-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 84578341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).