1-methyl-3-phenylindole-2-carboxamide

C16H14N2O — CID 22037826

IUPAC1-methyl-3-phenylindole-2-carboxamide
SMILESCn1c(C(N)=O)c(-c2ccccc2)c2ccccc21
InChIInChI=1S/C16H14N2O/c1-18-13-10-6-5-9-12(13)14(15(18)16(17)19)11-7-3-2-4-8-11/h2-10H,1H3,(H2,17,19)
InChIKeyXSZPJLMTEKPUJF-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.94
Rot. Bonds2

About 1-methyl-3-phenylindole-2-carboxamide

1-methyl-3-phenylindole-2-carboxamide (PubChem CID 22037826) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-methyl-3-phenylindole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-3-phenylindole-2-carboxamide
PubChem CID22037826
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name1-methyl-3-phenylindole-2-carboxamide
SMILESCn1c(C(N)=O)c(-c2ccccc2)c2ccccc21
InChIInChI=1S/C16H14N2O/c1-18-13-10-6-5-9-12(13)14(15(18)16(17)19)11-7-3-2-4-8-11/h2-10H,1H3,(H2,17,19)
InChIKeyXSZPJLMTEKPUJF-UHFFFAOYSA-N
XLogP2.94
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methyl-3-phenylindol-2-yl)ethanone
CID 83919736
2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide
CID 15075780
1-methyl-2,3-diphenylindole
CID 11426096
1-methyl-3-(2-methylpropyl)indole-2-carboxamide
CID 173435951
2-iodo-1-methyl-3-phenylindole
CID 76846489
3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxamide
CID 70002976
3-bromo-1-methyl-4-phenylquinolin-2-one
CID 50999162
methyl 1-methyl-2-oxo-4-phenylquinoline-3-carboxylate
CID 154227733
3-(2-amino-2-oxoethyl)-1-methylindole-2-carboxylic acid
CID 12826450
3-bromo-1-methylindole-2-carboxylic acid
CID 15290332
3-methoxy-1-methylindole-2-carboxylic acid
CID 12619892
1-methyl-2-phenylindole-3-carboxylic acid
CID 8899719

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenylindole-2-carboxamide?
The IUPAC name of 1-methyl-3-phenylindole-2-carboxamide (CID 22037826) is 1-methyl-3-phenylindole-2-carboxamide.
What is the SMILES notation for 1-methyl-3-phenylindole-2-carboxamide?
The canonical SMILES for 1-methyl-3-phenylindole-2-carboxamide is Cn1c(C(N)=O)c(-c2ccccc2)c2ccccc21.
What is the InChIKey of 1-methyl-3-phenylindole-2-carboxamide?
The InChIKey is XSZPJLMTEKPUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-18-13-10-6-5-9-12(13)14(15(18)16(17)19)11-7-3-2-4-8-11/h2-10H,1H3,(H2,17,19).
What are the key properties of 1-methyl-3-phenylindole-2-carboxamide?
1-methyl-3-phenylindole-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenylindole-2-carboxamide is sourced from PubChem (CID 22037826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).