3-chloro-1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2-N-[(2S)-1-methylsulfonylpropan-2-yl]benzene-1,2-dicarboxamide;N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide

C43H31Cl2F13N4O7S — CID 16734925

About 3-chloro-1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2-N-[(2S)-1-methylsulfonylpropan-2-yl]benzene-1,2-dicarboxamide;N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide

3-chloro-1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2-N-[(2S)-1-methylsulfonylpropan-2-yl]benzene-1,2-dicarboxamide;N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 16734925) has the molecular formula C43H31Cl2F13N4O7S and a molecular weight of 1065.69 g/mol. Its IUPAC name is 3-chloro-1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2-N-[(2S)-1-methylsulfonylpropan-2-yl]benzene-1,2-dicarboxamide;N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

• Compound Name: 3-chloro-1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2-N-[(2S)-1-methylsulfonylpropan-2-yl]benzene-1,2-dicarboxamide;N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide
• PubChem CID: 16734925
• Molecular Formula: C43H31Cl2F13N4O7S
• Molecular Weight: 1065.69 g/mol
• Exact Mass: 1064.11
• IUPAC Name: 3-chloro-1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2-N-[(2S)-1-methylsulfonylpropan-2-yl]benzene-1,2-dicarboxamide;N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide
• SMILES: Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1NC(=O)c1cccc(Cl)c1C(=O)N[C@@H](C)CS(C)(=O)=O.O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1F
• InChI: InChI=1S/C22H20ClF7N2O4S.C21H11ClF6N2O3/c1-11-9-13(20(24,21(25,26)27)22(28,29)30)7-8-16(11)32-18(33)14-5-4-6-15(23)17(14)19(34)31-12(2)10-37(3,35)36;22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h4-9,12H,10H2,1-3H3,(H,31,34)(H,32,33);1-9H,(H2,29,30,31,32)/t12-;/m0./s1
• InChIKey: GPDNVRBIGOYVGY-YDALLXLXSA-N
• XLogP: 11.88
• TPSA: 159.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1065.69
LogP ≤ 5	11.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2-N-[(2S)-1-methylsulfonylpropan-2-yl]benzene-1,2-dicarboxamide;N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide?

The IUPAC name of 3-chloro-1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2-N-[(2S)-1-methylsulfonylpropan-2-yl]benzene-1,2-dicarboxamide;N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide (CID 16734925) is 3-chloro-1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2-N-[(2S)-1-methylsulfonylpropan-2-yl]benzene-1,2-dicarboxamide;N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide.

What is the SMILES notation for 3-chloro-1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2-N-[(2S)-1-methylsulfonylpropan-2-yl]benzene-1,2-dicarboxamide;N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide?

The canonical SMILES for 3-chloro-1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2-N-[(2S)-1-methylsulfonylpropan-2-yl]benzene-1,2-dicarboxamide;N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide is Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1NC(=O)c1cccc(Cl)c1C(=O)N[C@@H](C)CS(C)(=O)=O.O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1F.

What is the InChIKey of 3-chloro-1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2-N-[(2S)-1-methylsulfonylpropan-2-yl]benzene-1,2-dicarboxamide;N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide?

The InChIKey is GPDNVRBIGOYVGY-YDALLXLXSA-N. The full InChI is InChI=1S/C22H20ClF7N2O4S.C21H11ClF6N2O3/c1-11-9-13(20(24,21(25,26)27)22(28,29)30)7-8-16(11)32-18(33)14-5-4-6-15(23)17(14)19(34)31-12(2)10-37(3,35)36;22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h4-9,12H,10H2,1-3H3,(H,31,34)(H,32,33);1-9H,(H2,29,30,31,32)/t12-;/m0./s1.

What are the key properties of 3-chloro-1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2-N-[(2S)-1-methylsulfonylpropan-2-yl]benzene-1,2-dicarboxamide;N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide?

3-chloro-1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2-N-[(2S)-1-methylsulfonylpropan-2-yl]benzene-1,2-dicarboxamide;N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 1065.69 g/mol, XLogP of 11.88, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2-N-[(2S)-1-methylsulfonylpropan-2-yl]benzene-1,2-dicarboxamide;N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 16734925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).