N-benzyl-N-methyl-1H-indole-2-carboxamide

C17H16N2O — CID 23020609

IUPACN-benzyl-N-methyl-1H-indole-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C17H16N2O/c1-19(12-13-7-3-2-4-8-13)17(20)16-11-14-9-5-6-10-15(14)18-16/h2-11,18H,12H2,1H3
InChIKeyDIVKZMHOMDSMBZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.44
Rot. Bonds3

About N-benzyl-N-methyl-1H-indole-2-carboxamide

N-benzyl-N-methyl-1H-indole-2-carboxamide (PubChem CID 23020609) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is N-benzyl-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-1H-indole-2-carboxamide
PubChem CID23020609
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC NameN-benzyl-N-methyl-1H-indole-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C17H16N2O/c1-19(12-13-7-3-2-4-8-13)17(20)16-11-14-9-5-6-10-15(14)18-16/h2-11,18H,12H2,1H3
InChIKeyDIVKZMHOMDSMBZ-UHFFFAOYSA-N
XLogP3.44
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-benzyl-N-methyl-1H-indole-2-carboxamide (CID 23020609) is N-benzyl-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-1H-indole-2-carboxamide is CN(Cc1ccccc1)C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-benzyl-N-methyl-1H-indole-2-carboxamide?
The InChIKey is DIVKZMHOMDSMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-19(12-13-7-3-2-4-8-13)17(20)16-11-14-9-5-6-10-15(14)18-16/h2-11,18H,12H2,1H3.
What are the key properties of N-benzyl-N-methyl-1H-indole-2-carboxamide?
N-benzyl-N-methyl-1H-indole-2-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 23020609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).