N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide

C17H14N2O2 — CID 3149447

IUPACN-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NCc1ccccc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H14N2O2/c20-16(14-11-18-15-9-5-4-8-13(14)15)17(21)19-10-12-6-2-1-3-7-12/h1-9,11,18H,10H2,(H,19,21)
InChIKeyHWOWPGLTTSFLOQ-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.67
Rot. Bonds4

About N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide

N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 3149447) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID3149447
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC NameN-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NCc1ccccc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H14N2O2/c20-16(14-11-18-15-9-5-4-8-13(14)15)17(21)19-10-12-6-2-1-3-7-12/h1-9,11,18H,10H2,(H,19,21)
InChIKeyHWOWPGLTTSFLOQ-UHFFFAOYSA-N
XLogP2.67
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide (CID 3149447) is N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide is O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is HWOWPGLTTSFLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-16(14-11-18-15-9-5-4-8-13(14)15)17(21)19-10-12-6-2-1-3-7-12/h1-9,11,18H,10H2,(H,19,21).
What are the key properties of N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide?
N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 278.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 3149447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).