N,1-dimethyl-N-phenylindole-2-carboxamide

C17H16N2O — CID 3547496

IUPACN,1-dimethyl-N-phenylindole-2-carboxamide
SMILESCN(C(=O)c1cc2ccccc2n1C)c1ccccc1
InChIInChI=1S/C17H16N2O/c1-18(14-9-4-3-5-10-14)17(20)16-12-13-8-6-7-11-15(13)19(16)2/h3-12H,1-2H3
InChIKeyBWRCVGRVYKKDEW-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.45
Rot. Bonds2

About N,1-dimethyl-N-phenylindole-2-carboxamide

N,1-dimethyl-N-phenylindole-2-carboxamide (PubChem CID 3547496) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is N,1-dimethyl-N-phenylindole-2-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-phenylindole-2-carboxamide
PubChem CID3547496
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC NameN,1-dimethyl-N-phenylindole-2-carboxamide
SMILESCN(C(=O)c1cc2ccccc2n1C)c1ccccc1
InChIInChI=1S/C17H16N2O/c1-18(14-9-4-3-5-10-14)17(20)16-12-13-8-6-7-11-15(13)19(16)2/h3-12H,1-2H3
InChIKeyBWRCVGRVYKKDEW-UHFFFAOYSA-N
XLogP3.45
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-phenylindole-2-carboxamide?
The IUPAC name of N,1-dimethyl-N-phenylindole-2-carboxamide (CID 3547496) is N,1-dimethyl-N-phenylindole-2-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-phenylindole-2-carboxamide?
The canonical SMILES for N,1-dimethyl-N-phenylindole-2-carboxamide is CN(C(=O)c1cc2ccccc2n1C)c1ccccc1.
What is the InChIKey of N,1-dimethyl-N-phenylindole-2-carboxamide?
The InChIKey is BWRCVGRVYKKDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-18(14-9-4-3-5-10-14)17(20)16-12-13-8-6-7-11-15(13)19(16)2/h3-12H,1-2H3.
What are the key properties of N,1-dimethyl-N-phenylindole-2-carboxamide?
N,1-dimethyl-N-phenylindole-2-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-phenylindole-2-carboxamide is sourced from PubChem (CID 3547496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).