2-(3-chlorophenyl)-N-(3-oxo-1,2-dihydroinden-1-yl)acetamide

C17H14ClNO2 — CID 156906998

IUPAC2-(3-chlorophenyl)-N-(3-oxo-1,2-dihydroinden-1-yl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)NC1CC(=O)c2ccccc21
InChIInChI=1S/C17H14ClNO2/c18-12-5-3-4-11(8-12)9-17(21)19-15-10-16(20)14-7-2-1-6-13(14)15/h1-8,15H,9-10H2,(H,19,21)
InChIKeyZNDORTNMEWZIKY-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.33
Rot. Bonds3

About 2-(3-chlorophenyl)-N-(3-oxo-1,2-dihydroinden-1-yl)acetamide

2-(3-chlorophenyl)-N-(3-oxo-1,2-dihydroinden-1-yl)acetamide (PubChem CID 156906998) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(3-oxo-1,2-dihydroinden-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(3-oxo-1,2-dihydroinden-1-yl)acetamide
PubChem CID156906998
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name2-(3-chlorophenyl)-N-(3-oxo-1,2-dihydroinden-1-yl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)NC1CC(=O)c2ccccc21
InChIInChI=1S/C17H14ClNO2/c18-12-5-3-4-11(8-12)9-17(21)19-15-10-16(20)14-7-2-1-6-13(14)15/h1-8,15H,9-10H2,(H,19,21)
InChIKeyZNDORTNMEWZIKY-UHFFFAOYSA-N
XLogP3.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(3-oxo-1,2-dihydroinden-1-yl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(3-oxo-1,2-dihydroinden-1-yl)acetamide (CID 156906998) is 2-(3-chlorophenyl)-N-(3-oxo-1,2-dihydroinden-1-yl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(3-oxo-1,2-dihydroinden-1-yl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(3-oxo-1,2-dihydroinden-1-yl)acetamide is O=C(Cc1cccc(Cl)c1)NC1CC(=O)c2ccccc21.
What is the InChIKey of 2-(3-chlorophenyl)-N-(3-oxo-1,2-dihydroinden-1-yl)acetamide?
The InChIKey is ZNDORTNMEWZIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c18-12-5-3-4-11(8-12)9-17(21)19-15-10-16(20)14-7-2-1-6-13(14)15/h1-8,15H,9-10H2,(H,19,21).
What are the key properties of 2-(3-chlorophenyl)-N-(3-oxo-1,2-dihydroinden-1-yl)acetamide?
2-(3-chlorophenyl)-N-(3-oxo-1,2-dihydroinden-1-yl)acetamide has a molecular weight of 299.76 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(3-oxo-1,2-dihydroinden-1-yl)acetamide is sourced from PubChem (CID 156906998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).