2-(1-benzyl-2-oxoindol-3-ylidene)acetamide

C17H14N2O2 — CID 76656051

IUPAC2-(1-benzyl-2-oxoindol-3-ylidene)acetamide
SMILESNC(=O)C=C1C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C17H14N2O2/c18-16(20)10-14-13-8-4-5-9-15(13)19(17(14)21)11-12-6-2-1-3-7-12/h1-10H,11H2,(H2,18,20)
InChIKeyHAKPJCULOMFELM-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.10
Rot. Bonds3

About 2-(1-benzyl-2-oxoindol-3-ylidene)acetamide

2-(1-benzyl-2-oxoindol-3-ylidene)acetamide (PubChem CID 76656051) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(1-benzyl-2-oxoindol-3-ylidene)acetamide.

Molecular Properties

Compound Name2-(1-benzyl-2-oxoindol-3-ylidene)acetamide
PubChem CID76656051
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-(1-benzyl-2-oxoindol-3-ylidene)acetamide
SMILESNC(=O)C=C1C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C17H14N2O2/c18-16(20)10-14-13-8-4-5-9-15(13)19(17(14)21)11-12-6-2-1-3-7-12/h1-10H,11H2,(H2,18,20)
InChIKeyHAKPJCULOMFELM-UHFFFAOYSA-N
XLogP2.10
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-2-oxoindol-3-ylidene)acetamide?
The IUPAC name of 2-(1-benzyl-2-oxoindol-3-ylidene)acetamide (CID 76656051) is 2-(1-benzyl-2-oxoindol-3-ylidene)acetamide.
What is the SMILES notation for 2-(1-benzyl-2-oxoindol-3-ylidene)acetamide?
The canonical SMILES for 2-(1-benzyl-2-oxoindol-3-ylidene)acetamide is NC(=O)C=C1C(=O)N(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 2-(1-benzyl-2-oxoindol-3-ylidene)acetamide?
The InChIKey is HAKPJCULOMFELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c18-16(20)10-14-13-8-4-5-9-15(13)19(17(14)21)11-12-6-2-1-3-7-12/h1-10H,11H2,(H2,18,20).
What are the key properties of 2-(1-benzyl-2-oxoindol-3-ylidene)acetamide?
2-(1-benzyl-2-oxoindol-3-ylidene)acetamide has a molecular weight of 278.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-2-oxoindol-3-ylidene)acetamide is sourced from PubChem (CID 76656051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).