N-[2-(4-fluoroanilino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide

C24H18F2N4O3 — CID 3823696

About N-[2-(4-fluoroanilino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide

N-[2-(4-fluoroanilino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide (PubChem CID 3823696) has the molecular formula C24H18F2N4O3 and a molecular weight of 448.43 g/mol. Its IUPAC name is N-[2-(4-fluoroanilino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-fluoroanilino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
• PubChem CID: 3823696
• Molecular Formula: C24H18F2N4O3
• Molecular Weight: 448.43 g/mol
• Exact Mass: 448.13
• IUPAC Name: N-[2-(4-fluoroanilino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
• SMILES: O=C(Nc1ccc(F)cc1)C(c1ccccc1F)N(Cc1ccco1)C(=O)c1cnccn1
• InChI: InChI=1S/C24H18F2N4O3/c25-16-7-9-17(10-8-16)29-23(31)22(19-5-1-2-6-20(19)26)30(15-18-4-3-13-33-18)24(32)21-14-27-11-12-28-21/h1-14,22H,15H2,(H,29,31)
• InChIKey: OLYSADWERVSIQZ-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.43
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoroanilino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?

The IUPAC name of N-[2-(4-fluoroanilino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide (CID 3823696) is N-[2-(4-fluoroanilino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide.

What is the SMILES notation for N-[2-(4-fluoroanilino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?

The canonical SMILES for N-[2-(4-fluoroanilino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide is O=C(Nc1ccc(F)cc1)C(c1ccccc1F)N(Cc1ccco1)C(=O)c1cnccn1.

What is the InChIKey of N-[2-(4-fluoroanilino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?

The InChIKey is OLYSADWERVSIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N4O3/c25-16-7-9-17(10-8-16)29-23(31)22(19-5-1-2-6-20(19)26)30(15-18-4-3-13-33-18)24(32)21-14-27-11-12-28-21/h1-14,22H,15H2,(H,29,31).

What are the key properties of N-[2-(4-fluoroanilino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?

N-[2-(4-fluoroanilino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 448.43 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-fluoroanilino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 3823696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).