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

C16H14N2O — CID 8023988

IUPACN-benzyl-1H-indole-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H14N2O/c19-16(17-11-12-6-2-1-3-7-12)15-10-13-8-4-5-9-14(13)18-15/h1-10,18H,11H2,(H,17,19)
InChIKeyAYMFXIQFBKQBGU-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.10
Rot. Bonds3

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

N-benzyl-1H-indole-2-carboxamide (PubChem CID 8023988) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is N-benzyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1H-indole-2-carboxamide
PubChem CID8023988
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC NameN-benzyl-1H-indole-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H14N2O/c19-16(17-11-12-6-2-1-3-7-12)15-10-13-8-4-5-9-14(13)18-15/h1-10,18H,11H2,(H,17,19)
InChIKeyAYMFXIQFBKQBGU-UHFFFAOYSA-N
XLogP3.10
TPSA44.89 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 ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1H-indole-2-carboxamide?
The IUPAC name of N-benzyl-1H-indole-2-carboxamide (CID 8023988) is N-benzyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-benzyl-1H-indole-2-carboxamide?
The canonical SMILES for N-benzyl-1H-indole-2-carboxamide is O=C(NCc1ccccc1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-benzyl-1H-indole-2-carboxamide?
The InChIKey is AYMFXIQFBKQBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c19-16(17-11-12-6-2-1-3-7-12)15-10-13-8-4-5-9-14(13)18-15/h1-10,18H,11H2,(H,17,19).
What are the key properties of N-benzyl-1H-indole-2-carboxamide?
N-benzyl-1H-indole-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1H-indole-2-carboxamide is sourced from PubChem (CID 8023988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).