3-benzyl-1H-indole-2-carboxamide

C16H14N2O — CID 70180298

IUPAC3-benzyl-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccccc2c1Cc1ccccc1
InChIInChI=1S/C16H14N2O/c17-16(19)15-13(10-11-6-2-1-3-7-11)12-8-4-5-9-14(12)18-15/h1-9,18H,10H2,(H2,17,19)
InChIKeyOTQUAFWMHKSVNF-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.86
Rot. Bonds3

About 3-benzyl-1H-indole-2-carboxamide

3-benzyl-1H-indole-2-carboxamide (PubChem CID 70180298) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-benzyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-benzyl-1H-indole-2-carboxamide
PubChem CID70180298
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name3-benzyl-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccccc2c1Cc1ccccc1
InChIInChI=1S/C16H14N2O/c17-16(19)15-13(10-11-6-2-1-3-7-11)12-8-4-5-9-14(12)18-15/h1-9,18H,10H2,(H2,17,19)
InChIKeyOTQUAFWMHKSVNF-UHFFFAOYSA-N
XLogP2.86
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1H-indole-2-carboxamide?
The IUPAC name of 3-benzyl-1H-indole-2-carboxamide (CID 70180298) is 3-benzyl-1H-indole-2-carboxamide.
What is the SMILES notation for 3-benzyl-1H-indole-2-carboxamide?
The canonical SMILES for 3-benzyl-1H-indole-2-carboxamide is NC(=O)c1[nH]c2ccccc2c1Cc1ccccc1.
What is the InChIKey of 3-benzyl-1H-indole-2-carboxamide?
The InChIKey is OTQUAFWMHKSVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c17-16(19)15-13(10-11-6-2-1-3-7-11)12-8-4-5-9-14(12)18-15/h1-9,18H,10H2,(H2,17,19).
What are the key properties of 3-benzyl-1H-indole-2-carboxamide?
3-benzyl-1H-indole-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1H-indole-2-carboxamide is sourced from PubChem (CID 70180298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).