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

C24H18F2N2O4 — CID 92735706

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

N-[(1S)-2-(4-fluoroanilino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)furan-2-carboxamide (PubChem CID 92735706) has the molecular formula C24H18F2N2O4 and a molecular weight of 436.41 g/mol. Its IUPAC name is N-[(1S)-2-(4-fluoroanilino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-(4-fluoroanilino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
• PubChem CID: 92735706
• Molecular Formula: C24H18F2N2O4
• Molecular Weight: 436.41 g/mol
• Exact Mass: 436.12
• IUPAC Name: N-[(1S)-2-(4-fluoroanilino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
• SMILES: O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1F)N(Cc1ccco1)C(=O)c1ccco1
• InChI: InChI=1S/C24H18F2N2O4/c25-16-9-11-17(12-10-16)27-23(29)22(19-6-1-2-7-20(19)26)28(15-18-5-3-13-31-18)24(30)21-8-4-14-32-21/h1-14,22H,15H2,(H,27,29)/t22-/m0/s1
• InChIKey: NWOARAIMLSUOSH-QFIPXVFZSA-N
• XLogP: 5.17
• TPSA: 75.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.41
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[(1S)-2-(4-fluoroanilino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)furan-2-carboxamide (CID 92735706) is N-[(1S)-2-(4-fluoroanilino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)furan-2-carboxamide.

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

The canonical SMILES for N-[(1S)-2-(4-fluoroanilino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)furan-2-carboxamide is O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1F)N(Cc1ccco1)C(=O)c1ccco1.

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

The InChIKey is NWOARAIMLSUOSH-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H18F2N2O4/c25-16-9-11-17(12-10-16)27-23(29)22(19-6-1-2-7-20(19)26)28(15-18-5-3-13-31-18)24(30)21-8-4-14-32-21/h1-14,22H,15H2,(H,27,29)/t22-/m0/s1.

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

N-[(1S)-2-(4-fluoroanilino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)furan-2-carboxamide has a molecular weight of 436.41 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-(4-fluoroanilino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 92735706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).