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

C19H13Cl3N2O2 — CID 4261504

IUPAC2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide
SMILESO=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)c1ccccc1Cl
InChIInChI=1S/C19H13Cl3N2O2/c20-14-6-2-1-5-12(14)18(25)23-17-9-4-10-24(19(17)26)11-13-15(21)7-3-8-16(13)22/h1-10H,11H2,(H,23,25)
InChIKeyFGKRLDGPWGWRFC-UHFFFAOYSA-N
MW407.68 g/mol
LogP5.11
Rot. Bonds4

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

2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide (PubChem CID 4261504) has the molecular formula C19H13Cl3N2O2 and a molecular weight of 407.68 g/mol. Its IUPAC name is 2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide
PubChem CID4261504
Molecular FormulaC19H13Cl3N2O2
Molecular Weight407.68 g/mol
Exact Mass406.00
IUPAC Name2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide
SMILESO=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)c1ccccc1Cl
InChIInChI=1S/C19H13Cl3N2O2/c20-14-6-2-1-5-12(14)18(25)23-17-9-4-10-24(19(17)26)11-13-15(21)7-3-8-16(13)22/h1-10H,11H2,(H,23,25)
InChIKeyFGKRLDGPWGWRFC-UHFFFAOYSA-N
XLogP5.11
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.68
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide?
The IUPAC name of 2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide (CID 4261504) is 2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide is O=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide?
The InChIKey is FGKRLDGPWGWRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl3N2O2/c20-14-6-2-1-5-12(14)18(25)23-17-9-4-10-24(19(17)26)11-13-15(21)7-3-8-16(13)22/h1-10H,11H2,(H,23,25).
What are the key properties of 2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide?
2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide has a molecular weight of 407.68 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide is sourced from PubChem (CID 4261504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).