3-chloro-N-(2-chloro-3-pyridinyl)-5-methylbenzamide

C13H10Cl2N2O — CID 103773111

IUPAC3-chloro-N-(2-chloro-3-pyridinyl)-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)Nc2cccnc2Cl)c1
InChIInChI=1S/C13H10Cl2N2O/c1-8-5-9(7-10(14)6-8)13(18)17-11-3-2-4-16-12(11)15/h2-7H,1H3,(H,17,18)
InChIKeyDWEOOIVSVLGAPB-UHFFFAOYSA-N
MW281.14 g/mol
LogP3.95
Rot. Bonds2

About 3-chloro-N-(2-chloro-3-pyridinyl)-5-methylbenzamide

3-chloro-N-(2-chloro-3-pyridinyl)-5-methylbenzamide (PubChem CID 103773111) 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)-5-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-chloro-3-pyridinyl)-5-methylbenzamide
PubChem CID103773111
Molecular FormulaC13H10Cl2N2O
Molecular Weight281.14 g/mol
Exact Mass280.02
IUPAC Name3-chloro-N-(2-chloro-3-pyridinyl)-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)Nc2cccnc2Cl)c1
InChIInChI=1S/C13H10Cl2N2O/c1-8-5-9(7-10(14)6-8)13(18)17-11-3-2-4-16-12(11)15/h2-7H,1H3,(H,17,18)
InChIKeyDWEOOIVSVLGAPB-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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Related Compounds

3-[(3-chloro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104740205
N-(2-bromophenyl)-3-chloro-5-methylbenzamide
CID 80948909
N-(2-chloro-3-pyridinyl)-3,4,5-trifluorobenzamide
CID 63188572
N-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide
CID 3984738
N-(2-bromo-3-chlorophenyl)-3-chloro-5-methylbenzamide
CID 103479767
2-amino-N-(2-chloro-3-pyridinyl)-4-methylbenzamide
CID 14209972
4-chloro-N-(2-chloro-3-pyridinyl)-3,5-dinitrobenzamide
CID 4549997
N-(2-chloro-3-pyridinyl)-4-methylsulfonylbenzamide
CID 103607627
2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide
CID 3454315
N-(2-bromo-3-pyridinyl)-3-fluoro-5-methylbenzamide
CID 103819167
N-(4-bromo-2-pyridinyl)-3-chloro-5-methylbenzamide
CID 102674199
N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide
CID 61375906

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chloro-3-pyridinyl)-5-methylbenzamide?
The IUPAC name of 3-chloro-N-(2-chloro-3-pyridinyl)-5-methylbenzamide (CID 103773111) is 3-chloro-N-(2-chloro-3-pyridinyl)-5-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(2-chloro-3-pyridinyl)-5-methylbenzamide?
The canonical SMILES for 3-chloro-N-(2-chloro-3-pyridinyl)-5-methylbenzamide is Cc1cc(Cl)cc(C(=O)Nc2cccnc2Cl)c1.
What is the InChIKey of 3-chloro-N-(2-chloro-3-pyridinyl)-5-methylbenzamide?
The InChIKey is DWEOOIVSVLGAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O/c1-8-5-9(7-10(14)6-8)13(18)17-11-3-2-4-16-12(11)15/h2-7H,1H3,(H,17,18).
What are the key properties of 3-chloro-N-(2-chloro-3-pyridinyl)-5-methylbenzamide?
3-chloro-N-(2-chloro-3-pyridinyl)-5-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)-5-methylbenzamide is sourced from PubChem (CID 103773111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).