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

C13H10Cl2N2O2 — CID 103721934

IUPAC4-chloro-N-(2-chloro-3-pyridinyl)-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)Nc1cccnc1Cl
InChIInChI=1S/C13H10Cl2N2O2/c1-19-11-7-8(14)4-5-9(11)13(18)17-10-3-2-6-16-12(10)15/h2-7H,1H3,(H,17,18)
InChIKeyDMBKSROCJSRGQD-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.65
Rot. Bonds3

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

4-chloro-N-(2-chloro-3-pyridinyl)-2-methoxybenzamide (PubChem CID 103721934) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 4-chloro-N-(2-chloro-3-pyridinyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-chloro-3-pyridinyl)-2-methoxybenzamide
PubChem CID103721934
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name4-chloro-N-(2-chloro-3-pyridinyl)-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)Nc1cccnc1Cl
InChIInChI=1S/C13H10Cl2N2O2/c1-19-11-7-8(14)4-5-9(11)13(18)17-10-3-2-6-16-12(10)15/h2-7H,1H3,(H,17,18)
InChIKeyDMBKSROCJSRGQD-UHFFFAOYSA-N
XLogP3.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide
CID 3454315
N-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide
CID 3984738
2-bromo-5-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 113235199
N-(2-chloro-3-pyridinyl)-2-fluoro-6-methoxybenzamide
CID 113265347
4-chloro-N-[2-(chloromethyl)phenyl]-2-methoxybenzamide
CID 114298257
N-[2-(aminomethyl)phenyl]-4-chloro-2-methoxybenzamide
CID 64882519
2-amino-N-(2-chloro-3-pyridinyl)-6-methoxybenzamide
CID 81421056
4-bromo-N-(2-bromo-3-pyridinyl)-2-methoxybenzamide
CID 103819401
2,4-dichloro-N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide
CID 2134804
N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide
CID 61375906
2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-carboxamide
CID 61042493
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-chloro-3-pyridinyl)-2-methoxybenzamide?
The IUPAC name of 4-chloro-N-(2-chloro-3-pyridinyl)-2-methoxybenzamide (CID 103721934) is 4-chloro-N-(2-chloro-3-pyridinyl)-2-methoxybenzamide.
What is the SMILES notation for 4-chloro-N-(2-chloro-3-pyridinyl)-2-methoxybenzamide?
The canonical SMILES for 4-chloro-N-(2-chloro-3-pyridinyl)-2-methoxybenzamide is COc1cc(Cl)ccc1C(=O)Nc1cccnc1Cl.
What is the InChIKey of 4-chloro-N-(2-chloro-3-pyridinyl)-2-methoxybenzamide?
The InChIKey is DMBKSROCJSRGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c1-19-11-7-8(14)4-5-9(11)13(18)17-10-3-2-6-16-12(10)15/h2-7H,1H3,(H,17,18).
What are the key properties of 4-chloro-N-(2-chloro-3-pyridinyl)-2-methoxybenzamide?
4-chloro-N-(2-chloro-3-pyridinyl)-2-methoxybenzamide has a molecular weight of 297.14 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-chloro-3-pyridinyl)-2-methoxybenzamide is sourced from PubChem (CID 103721934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).