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

C17H16N2O2 — CID 113204283

IUPACN-(2-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1[nH]c2ccccc2c1C
InChIInChI=1S/C17H16N2O2/c1-11-12-7-3-4-8-13(12)18-16(11)17(20)19-14-9-5-6-10-15(14)21-2/h3-10,18H,1-2H3,(H,19,20)
InChIKeyDZIRKYRIFDOKNE-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.74
Rot. Bonds3

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

N-(2-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide (PubChem CID 113204283) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide
PubChem CID113204283
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-(2-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1[nH]c2ccccc2c1C
InChIInChI=1S/C17H16N2O2/c1-11-12-7-3-4-8-13(12)18-16(11)17(20)19-14-9-5-6-10-15(14)21-2/h3-10,18H,1-2H3,(H,19,20)
InChIKeyDZIRKYRIFDOKNE-UHFFFAOYSA-N
XLogP3.74
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.74
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-(2-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 917217
N-(2,4-dimethylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204258
N-(2-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 110702587
5-fluoro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204627
methyl 2-[(5-methoxy-3-methyl-1H-indole-2-carbonyl)amino]benzoate
CID 113204904
6-chloro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113205343
N-(2-methoxyphenyl)-3,5-dimethyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 53059485
1-(2-methoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea
CID 53114255
N-(2-hydroxyphenyl)-3,5-dimethyl-1H-indole-2-carboxamide
CID 84578341
N-(4-ethylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204265
N-(2-carbamoyl-4,5-dimethoxyphenyl)-3-methoxy-1H-indole-2-carboxamide
CID 155945887
N-(2-bromophenyl)-6-fluoro-3-methyl-1H-indole-2-carboxamide
CID 113205230

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide (CID 113204283) is N-(2-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide is COc1ccccc1NC(=O)c1[nH]c2ccccc2c1C.
What is the InChIKey of N-(2-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide?
The InChIKey is DZIRKYRIFDOKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-12-7-3-4-8-13(12)18-16(11)17(20)19-14-9-5-6-10-15(14)21-2/h3-10,18H,1-2H3,(H,19,20).
What are the key properties of N-(2-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide?
N-(2-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 113204283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).