2-(3-chlorophenyl)-N-cinnolin-4-ylacetamide

C16H12ClN3O — CID 156907120

IUPAC2-(3-chlorophenyl)-N-cinnolin-4-ylacetamide
SMILESO=C(Cc1cccc(Cl)c1)Nc1cnnc2ccccc12
InChIInChI=1S/C16H12ClN3O/c17-12-5-3-4-11(8-12)9-16(21)19-15-10-18-20-14-7-2-1-6-13(14)15/h1-8,10H,9H2,(H,19,20,21)
InChIKeyPGNQHEUGDBLNCV-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.46
Rot. Bonds3

About 2-(3-chlorophenyl)-N-cinnolin-4-ylacetamide

2-(3-chlorophenyl)-N-cinnolin-4-ylacetamide (PubChem CID 156907120) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-cinnolin-4-ylacetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-cinnolin-4-ylacetamide
PubChem CID156907120
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name2-(3-chlorophenyl)-N-cinnolin-4-ylacetamide
SMILESO=C(Cc1cccc(Cl)c1)Nc1cnnc2ccccc12
InChIInChI=1S/C16H12ClN3O/c17-12-5-3-4-11(8-12)9-16(21)19-15-10-18-20-14-7-2-1-6-13(14)15/h1-8,10H,9H2,(H,19,20,21)
InChIKeyPGNQHEUGDBLNCV-UHFFFAOYSA-N
XLogP3.46
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-cinnolin-4-ylacetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-cinnolin-4-ylacetamide (CID 156907120) is 2-(3-chlorophenyl)-N-cinnolin-4-ylacetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-cinnolin-4-ylacetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-cinnolin-4-ylacetamide is O=C(Cc1cccc(Cl)c1)Nc1cnnc2ccccc12.
What is the InChIKey of 2-(3-chlorophenyl)-N-cinnolin-4-ylacetamide?
The InChIKey is PGNQHEUGDBLNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-12-5-3-4-11(8-12)9-16(21)19-15-10-18-20-14-7-2-1-6-13(14)15/h1-8,10H,9H2,(H,19,20,21).
What are the key properties of 2-(3-chlorophenyl)-N-cinnolin-4-ylacetamide?
2-(3-chlorophenyl)-N-cinnolin-4-ylacetamide has a molecular weight of 297.75 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-cinnolin-4-ylacetamide is sourced from PubChem (CID 156907120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).