4-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide

C27H23ClF3N5O6 — CID 135205342

About 4-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide

4-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide (PubChem CID 135205342) has the molecular formula C27H23ClF3N5O6 and a molecular weight of 605.96 g/mol. Its IUPAC name is 4-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide.

Molecular Properties

• Compound Name: 4-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide
• PubChem CID: 135205342
• Molecular Formula: C27H23ClF3N5O6
• Molecular Weight: 605.96 g/mol
• Exact Mass: 605.13
• IUPAC Name: 4-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide
• SMILES: COCCC(C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2nnc(C(F)F)o2)cc1=O
• InChI: InChI=1S/C27H23ClF3N5O6/c1-40-8-7-20(25(39)33-14-4-6-16(24(32)38)19(29)10-14)36-12-21(41-2)18(11-22(36)37)17-9-13(28)3-5-15(17)26-34-35-27(42-26)23(30)31/h3-6,9-12,20,23H,7-8H2,1-2H3,(H2,32,38)(H,33,39)
• InChIKey: ZFLRJTQBCYIFEA-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 151.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	605.96
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide?

The IUPAC name of 4-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide (CID 135205342) is 4-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide.

What is the SMILES notation for 4-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide?

The canonical SMILES for 4-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide is COCCC(C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2nnc(C(F)F)o2)cc1=O.

What is the InChIKey of 4-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide?

The InChIKey is ZFLRJTQBCYIFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClF3N5O6/c1-40-8-7-20(25(39)33-14-4-6-16(24(32)38)19(29)10-14)36-12-21(41-2)18(11-22(36)37)17-9-13(28)3-5-15(17)26-34-35-27(42-26)23(30)31/h3-6,9-12,20,23H,7-8H2,1-2H3,(H2,32,38)(H,33,39).

What are the key properties of 4-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide?

4-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide has a molecular weight of 605.96 g/mol, XLogP of 4.62, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide is sourced from PubChem (CID 135205342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).