2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluoro-N-methoxybenzamide

C13H9Cl2F2N3O2 — CID 24852478

IUPAC2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluoro-N-methoxybenzamide
SMILESCONC(=O)c1ccc(F)c(F)c1Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2F2N3O2/c1-22-20-13(21)7-2-3-9(16)10(17)11(7)19-12-8(15)4-6(14)5-18-12/h2-5H,1H3,(H,18,19)(H,20,21)
InChIKeyZCRXZLOIXMCTOI-UHFFFAOYSA-N
MW348.14 g/mol
LogP3.70
Rot. Bonds4

About 2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluoro-N-methoxybenzamide

2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluoro-N-methoxybenzamide (PubChem CID 24852478) has the molecular formula C13H9Cl2F2N3O2 and a molecular weight of 348.14 g/mol. Its IUPAC name is 2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluoro-N-methoxybenzamide.

Molecular Properties

Compound Name2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluoro-N-methoxybenzamide
PubChem CID24852478
Molecular FormulaC13H9Cl2F2N3O2
Molecular Weight348.14 g/mol
Exact Mass347.00
IUPAC Name2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluoro-N-methoxybenzamide
SMILESCONC(=O)c1ccc(F)c(F)c1Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2F2N3O2/c1-22-20-13(21)7-2-3-9(16)10(17)11(7)19-12-8(15)4-6(14)5-18-12/h2-5H,1H3,(H,18,19)(H,20,21)
InChIKeyZCRXZLOIXMCTOI-UHFFFAOYSA-N
XLogP3.70
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluoro-N-methoxybenzamide?
The IUPAC name of 2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluoro-N-methoxybenzamide (CID 24852478) is 2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluoro-N-methoxybenzamide.
What is the SMILES notation for 2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluoro-N-methoxybenzamide?
The canonical SMILES for 2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluoro-N-methoxybenzamide is CONC(=O)c1ccc(F)c(F)c1Nc1ncc(Cl)cc1Cl.
What is the InChIKey of 2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluoro-N-methoxybenzamide?
The InChIKey is ZCRXZLOIXMCTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F2N3O2/c1-22-20-13(21)7-2-3-9(16)10(17)11(7)19-12-8(15)4-6(14)5-18-12/h2-5H,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluoro-N-methoxybenzamide?
2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluoro-N-methoxybenzamide has a molecular weight of 348.14 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluoro-N-methoxybenzamide is sourced from PubChem (CID 24852478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).