2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-N-methylbenzamide

C19H14Cl2N2O — CID 170123465

IUPAC2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1Cl)c1ccc(Cl)c(-c2ccccn2)c1
InChIInChI=1S/C19H14Cl2N2O/c1-23(19(24)14-6-2-3-7-16(14)20)13-9-10-17(21)15(12-13)18-8-4-5-11-22-18/h2-12H,1H3
InChIKeyXXWYODWRKSLWQE-UHFFFAOYSA-N
MW357.24 g/mol
LogP5.33
Rot. Bonds3

About 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-N-methylbenzamide

2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-N-methylbenzamide (PubChem CID 170123465) has the molecular formula C19H14Cl2N2O and a molecular weight of 357.24 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-N-methylbenzamide
PubChem CID170123465
Molecular FormulaC19H14Cl2N2O
Molecular Weight357.24 g/mol
Exact Mass356.05
IUPAC Name2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1Cl)c1ccc(Cl)c(-c2ccccn2)c1
InChIInChI=1S/C19H14Cl2N2O/c1-23(19(24)14-6-2-3-7-16(14)20)13-9-10-17(21)15(12-13)18-8-4-5-11-22-18/h2-12H,1H3
InChIKeyXXWYODWRKSLWQE-UHFFFAOYSA-N
XLogP5.33
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.24
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-N-methylbenzamide?
The IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-N-methylbenzamide (CID 170123465) is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-N-methylbenzamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-N-methylbenzamide?
The canonical SMILES for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-N-methylbenzamide is CN(C(=O)c1ccccc1Cl)c1ccc(Cl)c(-c2ccccn2)c1.
What is the InChIKey of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-N-methylbenzamide?
The InChIKey is XXWYODWRKSLWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O/c1-23(19(24)14-6-2-3-7-16(14)20)13-9-10-17(21)15(12-13)18-8-4-5-11-22-18/h2-12H,1H3.
What are the key properties of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-N-methylbenzamide?
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-N-methylbenzamide has a molecular weight of 357.24 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-N-methylbenzamide is sourced from PubChem (CID 170123465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).