4-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide

C25H23ClFN7O5 — CID 135205703

About 4-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide

4-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide (PubChem CID 135205703) has the molecular formula C25H23ClFN7O5 and a molecular weight of 555.95 g/mol. Its IUPAC name is 4-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide.

Molecular Properties

• Compound Name: 4-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide
• PubChem CID: 135205703
• Molecular Formula: C25H23ClFN7O5
• Molecular Weight: 555.95 g/mol
• Exact Mass: 555.14
• IUPAC Name: 4-[[2-[4-[5-chloro-2-(tetrazol-1-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-n2cnnn2)cc1=O
• InChI: InChI=1S/C25H23ClFN7O5/c1-38-8-7-21(25(37)30-15-4-5-16(24(28)36)19(27)10-15)33-12-22(39-2)18(11-23(33)35)17-9-14(26)3-6-20(17)34-13-29-31-32-34/h3-6,9-13,21H,7-8H2,1-2H3,(H2,28,36)(H,30,37)
• InChIKey: IICMIKXBIINPOO-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 156.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.95
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 4-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide (CID 135205703) is 4-[[2-[4-[5-chloro-2-(tetrazol-1-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-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide?

The canonical SMILES for 4-[[2-[4-[5-chloro-2-(tetrazol-1-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-n2cnnn2)cc1=O.

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

The InChIKey is IICMIKXBIINPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN7O5/c1-38-8-7-21(25(37)30-15-4-5-16(24(28)36)19(27)10-15)33-12-22(39-2)18(11-23(33)35)17-9-14(26)3-6-20(17)34-13-29-31-32-34/h3-6,9-13,21H,7-8H2,1-2H3,(H2,28,36)(H,30,37).

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

4-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide has a molecular weight of 555.95 g/mol, XLogP of 2.61, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-2-fluorobenzamide is sourced from PubChem (CID 135205703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).