2,4-dichloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide

C19H12Cl4N2O2 — CID 3772253

IUPAC2,4-dichloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide
SMILESO=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H12Cl4N2O2/c20-11-6-7-12(16(23)9-11)18(26)24-17-5-2-8-25(19(17)27)10-13-14(21)3-1-4-15(13)22/h1-9H,10H2,(H,24,26)
InChIKeyIDPUBFNMEGKAOH-UHFFFAOYSA-N
MW442.13 g/mol
LogP5.76
Rot. Bonds4

About 2,4-dichloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide

2,4-dichloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide (PubChem CID 3772253) has the molecular formula C19H12Cl4N2O2 and a molecular weight of 442.13 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide
PubChem CID3772253
Molecular FormulaC19H12Cl4N2O2
Molecular Weight442.13 g/mol
Exact Mass439.97
IUPAC Name2,4-dichloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide
SMILESO=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H12Cl4N2O2/c20-11-6-7-12(16(23)9-11)18(26)24-17-5-2-8-25(19(17)27)10-13-14(21)3-1-4-15(13)22/h1-9H,10H2,(H,24,26)
InChIKeyIDPUBFNMEGKAOH-UHFFFAOYSA-N
XLogP5.76
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.13
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide (CID 3772253) is 2,4-dichloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide is O=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide?
The InChIKey is IDPUBFNMEGKAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl4N2O2/c20-11-6-7-12(16(23)9-11)18(26)24-17-5-2-8-25(19(17)27)10-13-14(21)3-1-4-15(13)22/h1-9H,10H2,(H,24,26).
What are the key properties of 2,4-dichloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide?
2,4-dichloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide has a molecular weight of 442.13 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide is sourced from PubChem (CID 3772253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).