N-[2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylphenyl]-3-[ethyl-(2-methoxybenzoyl)amino]-2-fluorobenzamide

C28H22F10N2O4 — CID 154622963

About N-[2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylphenyl]-3-[ethyl-(2-methoxybenzoyl)amino]-2-fluorobenzamide

N-[2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylphenyl]-3-[ethyl-(2-methoxybenzoyl)amino]-2-fluorobenzamide (PubChem CID 154622963) has the molecular formula C28H22F10N2O4 and a molecular weight of 640.47 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylphenyl]-3-[ethyl-(2-methoxybenzoyl)amino]-2-fluorobenzamide.

Molecular Properties

• Compound Name: N-[2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylphenyl]-3-[ethyl-(2-methoxybenzoyl)amino]-2-fluorobenzamide
• PubChem CID: 154622963
• Molecular Formula: C28H22F10N2O4
• Molecular Weight: 640.47 g/mol
• Exact Mass: 640.14
• IUPAC Name: N-[2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylphenyl]-3-[ethyl-(2-methoxybenzoyl)amino]-2-fluorobenzamide
• SMILES: CCN(C(=O)c1ccccc1OC)c1cccc(C(=O)Nc2c(C)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2OC(F)F)c1F
• InChI: InChI=1S/C28H22F10N2O4/c1-4-40(24(42)16-8-5-6-11-19(16)43-3)18-10-7-9-17(21(18)29)23(41)39-22-14(2)12-15(13-20(22)44-25(30)31)26(32,27(33,34)35)28(36,37)38/h5-13,25H,4H2,1-3H3,(H,39,41)
• InChIKey: IWFZMQIXPWGHCW-UHFFFAOYSA-N
• XLogP: 7.95
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.47
LogP ≤ 5	7.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylphenyl]-3-[ethyl-(2-methoxybenzoyl)amino]-2-fluorobenzamide?

The IUPAC name of N-[2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylphenyl]-3-[ethyl-(2-methoxybenzoyl)amino]-2-fluorobenzamide (CID 154622963) is N-[2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylphenyl]-3-[ethyl-(2-methoxybenzoyl)amino]-2-fluorobenzamide.

What is the SMILES notation for N-[2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylphenyl]-3-[ethyl-(2-methoxybenzoyl)amino]-2-fluorobenzamide?

The canonical SMILES for N-[2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylphenyl]-3-[ethyl-(2-methoxybenzoyl)amino]-2-fluorobenzamide is CCN(C(=O)c1ccccc1OC)c1cccc(C(=O)Nc2c(C)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2OC(F)F)c1F.

What is the InChIKey of N-[2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylphenyl]-3-[ethyl-(2-methoxybenzoyl)amino]-2-fluorobenzamide?

The InChIKey is IWFZMQIXPWGHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F10N2O4/c1-4-40(24(42)16-8-5-6-11-19(16)43-3)18-10-7-9-17(21(18)29)23(41)39-22-14(2)12-15(13-20(22)44-25(30)31)26(32,27(33,34)35)28(36,37)38/h5-13,25H,4H2,1-3H3,(H,39,41).

What are the key properties of N-[2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylphenyl]-3-[ethyl-(2-methoxybenzoyl)amino]-2-fluorobenzamide?

N-[2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylphenyl]-3-[ethyl-(2-methoxybenzoyl)amino]-2-fluorobenzamide has a molecular weight of 640.47 g/mol, XLogP of 7.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylphenyl]-3-[ethyl-(2-methoxybenzoyl)amino]-2-fluorobenzamide is sourced from PubChem (CID 154622963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).