N-(4-chlorophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide

C16H11ClN2O2 — CID 6484401

IUPACN-(4-chlorophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(Nc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H11ClN2O2/c17-10-5-7-11(8-6-10)19-16(21)15(20)13-9-18-14-4-2-1-3-12(13)14/h1-9,18H,(H,19,21)
InChIKeyVNPGQWCAWFGPDK-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.64
Rot. Bonds3

About N-(4-chlorophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide

N-(4-chlorophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 6484401) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID6484401
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC NameN-(4-chlorophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(Nc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H11ClN2O2/c17-10-5-7-11(8-6-10)19-16(21)15(20)13-9-18-14-4-2-1-3-12(13)14/h1-9,18H,(H,19,21)
InChIKeyVNPGQWCAWFGPDK-UHFFFAOYSA-N
XLogP3.64
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.64
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-(4-chlorophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide (CID 6484401) is N-(4-chlorophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide is O=C(Nc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-(4-chlorophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is VNPGQWCAWFGPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-10-5-7-11(8-6-10)19-16(21)15(20)13-9-18-14-4-2-1-3-12(13)14/h1-9,18H,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide?
N-(4-chlorophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 298.73 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 6484401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).