2-chlorobenzoyl chloride;2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;dichloromethane;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;methane

C42H33Cl5F4N4O6 — CID 159184823

About 2-chlorobenzoyl chloride;2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;dichloromethane;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;methane

2-chlorobenzoyl chloride;2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;dichloromethane;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;methane (PubChem CID 159184823) has the molecular formula C42H33Cl5F4N4O6 and a molecular weight of 943.00 g/mol. Its IUPAC name is 2-chlorobenzoyl chloride;2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;dichloromethane;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;methane.

Molecular Properties

• Compound Name: 2-chlorobenzoyl chloride;2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;dichloromethane;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;methane
• PubChem CID: 159184823
• Molecular Formula: C42H33Cl5F4N4O6
• Molecular Weight: 943.00 g/mol
• Exact Mass: 940.08
• IUPAC Name: 2-chlorobenzoyl chloride;2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;dichloromethane;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;methane
• SMILES: C.Cc1cc2c(cc1-c1ccc(N)nc1)OC(F)(F)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3Cl)nc1)OC(F)(F)O2.ClCCl.O=C(Cl)c1ccccc1Cl
• InChI: InChI=1S/C20H13ClF2N2O3.C13H10F2N2O2.C7H4Cl2O.CH2Cl2.CH4/c1-11-8-16-17(28-20(22,23)27-16)9-14(11)12-6-7-18(24-10-12)25-19(26)13-4-2-3-5-15(13)21;1-7-4-10-11(19-13(14,15)18-10)5-9(7)8-2-3-12(16)17-6-8;8-6-4-2-1-3-5(6)7(9)10;2-1-3;/h2-10H,1H3,(H,24,25,26);2-6H,1H3,(H2,16,17);1-4H;1H2;1H4
• InChIKey: KNIVOMAEULFOAJ-UHFFFAOYSA-N
• XLogP: 13.02
• TPSA: 134.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	943.00
LogP ≤ 5	13.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chlorobenzoyl chloride;2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;dichloromethane;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;methane?

The IUPAC name of 2-chlorobenzoyl chloride;2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;dichloromethane;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;methane (CID 159184823) is 2-chlorobenzoyl chloride;2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;dichloromethane;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;methane.

What is the SMILES notation for 2-chlorobenzoyl chloride;2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;dichloromethane;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;methane?

The canonical SMILES for 2-chlorobenzoyl chloride;2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;dichloromethane;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;methane is C.Cc1cc2c(cc1-c1ccc(N)nc1)OC(F)(F)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3Cl)nc1)OC(F)(F)O2.ClCCl.O=C(Cl)c1ccccc1Cl.

What is the InChIKey of 2-chlorobenzoyl chloride;2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;dichloromethane;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;methane?

The InChIKey is KNIVOMAEULFOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF2N2O3.C13H10F2N2O2.C7H4Cl2O.CH2Cl2.CH4/c1-11-8-16-17(28-20(22,23)27-16)9-14(11)12-6-7-18(24-10-12)25-19(26)13-4-2-3-5-15(13)21;1-7-4-10-11(19-13(14,15)18-10)5-9(7)8-2-3-12(16)17-6-8;8-6-4-2-1-3-5(6)7(9)10;2-1-3;/h2-10H,1H3,(H,24,25,26);2-6H,1H3,(H2,16,17);1-4H;1H2;1H4.

What are the key properties of 2-chlorobenzoyl chloride;2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;dichloromethane;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;methane?

2-chlorobenzoyl chloride;2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;dichloromethane;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;methane has a molecular weight of 943.00 g/mol, XLogP of 13.02, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chlorobenzoyl chloride;2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;dichloromethane;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;methane is sourced from PubChem (CID 159184823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).