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

C19H13Cl3N2O2 — CID 3554910

IUPAC4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide
SMILESO=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H13Cl3N2O2/c20-13-8-6-12(7-9-13)18(25)23-17-5-2-10-24(19(17)26)11-14-15(21)3-1-4-16(14)22/h1-10H,11H2,(H,23,25)
InChIKeyCZEGHIDQPCCPGW-UHFFFAOYSA-N
MW407.68 g/mol
LogP5.11
Rot. Bonds4

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

4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide (PubChem CID 3554910) has the molecular formula C19H13Cl3N2O2 and a molecular weight of 407.68 g/mol. Its IUPAC name is 4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide
PubChem CID3554910
Molecular FormulaC19H13Cl3N2O2
Molecular Weight407.68 g/mol
Exact Mass406.00
IUPAC Name4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide
SMILESO=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H13Cl3N2O2/c20-13-8-6-12(7-9-13)18(25)23-17-5-2-10-24(19(17)26)11-14-15(21)3-1-4-16(14)22/h1-10H,11H2,(H,23,25)
InChIKeyCZEGHIDQPCCPGW-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 4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide?
The IUPAC name of 4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide (CID 3554910) is 4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide is O=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide?
The InChIKey is CZEGHIDQPCCPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl3N2O2/c20-13-8-6-12(7-9-13)18(25)23-17-5-2-10-24(19(17)26)11-14-15(21)3-1-4-16(14)22/h1-10H,11H2,(H,23,25).
What are the key properties of 4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide?
4-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 4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]benzamide is sourced from PubChem (CID 3554910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).