3-chloro-N-(2-chloro-3-pyridinyl)-4-methylbenzamide

C13H10Cl2N2O — CID 3146286

IUPAC3-chloro-N-(2-chloro-3-pyridinyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccnc2Cl)cc1Cl
InChIInChI=1S/C13H10Cl2N2O/c1-8-4-5-9(7-10(8)14)13(18)17-11-3-2-6-16-12(11)15/h2-7H,1H3,(H,17,18)
InChIKeyGZXCBDLLTSBMAH-UHFFFAOYSA-N
MW281.14 g/mol
LogP3.95
Rot. Bonds2

About 3-chloro-N-(2-chloro-3-pyridinyl)-4-methylbenzamide

3-chloro-N-(2-chloro-3-pyridinyl)-4-methylbenzamide (PubChem CID 3146286) has the molecular formula C13H10Cl2N2O and a molecular weight of 281.14 g/mol. Its IUPAC name is 3-chloro-N-(2-chloro-3-pyridinyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-chloro-3-pyridinyl)-4-methylbenzamide
PubChem CID3146286
Molecular FormulaC13H10Cl2N2O
Molecular Weight281.14 g/mol
Exact Mass280.02
IUPAC Name3-chloro-N-(2-chloro-3-pyridinyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccnc2Cl)cc1Cl
InChIInChI=1S/C13H10Cl2N2O/c1-8-4-5-9(7-10(8)14)13(18)17-11-3-2-6-16-12(11)15/h2-7H,1H3,(H,17,18)
InChIKeyGZXCBDLLTSBMAH-UHFFFAOYSA-N
XLogP3.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chloro-3-pyridinyl)-4-methylbenzamide?
The IUPAC name of 3-chloro-N-(2-chloro-3-pyridinyl)-4-methylbenzamide (CID 3146286) is 3-chloro-N-(2-chloro-3-pyridinyl)-4-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(2-chloro-3-pyridinyl)-4-methylbenzamide?
The canonical SMILES for 3-chloro-N-(2-chloro-3-pyridinyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccnc2Cl)cc1Cl.
What is the InChIKey of 3-chloro-N-(2-chloro-3-pyridinyl)-4-methylbenzamide?
The InChIKey is GZXCBDLLTSBMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O/c1-8-4-5-9(7-10(8)14)13(18)17-11-3-2-6-16-12(11)15/h2-7H,1H3,(H,17,18).
What are the key properties of 3-chloro-N-(2-chloro-3-pyridinyl)-4-methylbenzamide?
3-chloro-N-(2-chloro-3-pyridinyl)-4-methylbenzamide has a molecular weight of 281.14 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-chloro-3-pyridinyl)-4-methylbenzamide is sourced from PubChem (CID 3146286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).