5-anilino-3-(3-chlorophenyl)-1H-pyridin-2-one

C17H13ClN2O — CID 156717146

IUPAC5-anilino-3-(3-chlorophenyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Nc2ccccc2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C17H13ClN2O/c18-13-6-4-5-12(9-13)16-10-15(11-19-17(16)21)20-14-7-2-1-3-8-14/h1-11,20H,(H,19,21)
InChIKeyKREALUDXUSFVNW-UHFFFAOYSA-N
MW296.76 g/mol
LogP4.44
Rot. Bonds3

About 5-anilino-3-(3-chlorophenyl)-1H-pyridin-2-one

5-anilino-3-(3-chlorophenyl)-1H-pyridin-2-one (PubChem CID 156717146) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 5-anilino-3-(3-chlorophenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-anilino-3-(3-chlorophenyl)-1H-pyridin-2-one
PubChem CID156717146
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name5-anilino-3-(3-chlorophenyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Nc2ccccc2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C17H13ClN2O/c18-13-6-4-5-12(9-13)16-10-15(11-19-17(16)21)20-14-7-2-1-3-8-14/h1-11,20H,(H,19,21)
InChIKeyKREALUDXUSFVNW-UHFFFAOYSA-N
XLogP4.44
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-anilino-3-(3-chlorophenyl)-1H-pyridin-2-one?
The IUPAC name of 5-anilino-3-(3-chlorophenyl)-1H-pyridin-2-one (CID 156717146) is 5-anilino-3-(3-chlorophenyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-anilino-3-(3-chlorophenyl)-1H-pyridin-2-one?
The canonical SMILES for 5-anilino-3-(3-chlorophenyl)-1H-pyridin-2-one is O=c1[nH]cc(Nc2ccccc2)cc1-c1cccc(Cl)c1.
What is the InChIKey of 5-anilino-3-(3-chlorophenyl)-1H-pyridin-2-one?
The InChIKey is KREALUDXUSFVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c18-13-6-4-5-12(9-13)16-10-15(11-19-17(16)21)20-14-7-2-1-3-8-14/h1-11,20H,(H,19,21).
What are the key properties of 5-anilino-3-(3-chlorophenyl)-1H-pyridin-2-one?
5-anilino-3-(3-chlorophenyl)-1H-pyridin-2-one has a molecular weight of 296.76 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-3-(3-chlorophenyl)-1H-pyridin-2-one is sourced from PubChem (CID 156717146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).