N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide

C21H14Cl3F2N3O3 — CID 19072643

About N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide

N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 19072643) has the molecular formula C21H14Cl3F2N3O3 and a molecular weight of 500.72 g/mol. Its IUPAC name is N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

• Compound Name: N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
• PubChem CID: 19072643
• Molecular Formula: C21H14Cl3F2N3O3
• Molecular Weight: 500.72 g/mol
• Exact Mass: 499.01
• IUPAC Name: N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
• SMILES: Cc1cc(NC(=O)NC(=O)c2c(F)cccc2F)c(C)c(Cl)c1Oc1ncc(Cl)cc1Cl
• InChI: InChI=1S/C21H14Cl3F2N3O3/c1-9-6-15(28-21(31)29-19(30)16-13(25)4-3-5-14(16)26)10(2)17(24)18(9)32-20-12(23)7-11(22)8-27-20/h3-8H,1-2H3,(H2,28,29,30,31)
• InChIKey: HCIDBGQZNISCGL-UHFFFAOYSA-N
• XLogP: 6.69
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.72
LogP ≤ 5	6.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide?

The IUPAC name of N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide (CID 19072643) is N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide.

What is the SMILES notation for N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide?

The canonical SMILES for N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide is Cc1cc(NC(=O)NC(=O)c2c(F)cccc2F)c(C)c(Cl)c1Oc1ncc(Cl)cc1Cl.

What is the InChIKey of N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide?

The InChIKey is HCIDBGQZNISCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl3F2N3O3/c1-9-6-15(28-21(31)29-19(30)16-13(25)4-3-5-14(16)26)10(2)17(24)18(9)32-20-12(23)7-11(22)8-27-20/h3-8H,1-2H3,(H2,28,29,30,31).

What are the key properties of N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide?

N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 500.72 g/mol, XLogP of 6.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 19072643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).