N-[2-[(4-fluorophenyl)methyl-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide

C27H24FN3O5 — CID 25316221

About N-[2-[(4-fluorophenyl)methyl-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[(4-fluorophenyl)methyl-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 25316221) has the molecular formula C27H24FN3O5 and a molecular weight of 489.50 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methyl-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(4-fluorophenyl)methyl-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 25316221
• Molecular Formula: C27H24FN3O5
• Molecular Weight: 489.50 g/mol
• Exact Mass: 489.17
• IUPAC Name: N-[2-[(4-fluorophenyl)methyl-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
• SMILES: O=C(NCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccco1)c1ccccc1)c1ccco1
• InChI: InChI=1S/C27H24FN3O5/c28-21-12-10-19(11-13-21)18-31(24(32)17-30-26(33)23-9-5-15-36-23)25(20-6-2-1-3-7-20)27(34)29-16-22-8-4-14-35-22/h1-15,25H,16-18H2,(H,29,34)(H,30,33)/t25-/m0/s1
• InChIKey: XEROMQUGHAASNN-VWLOTQADSA-N
• XLogP: 3.83
• TPSA: 104.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.50
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methyl-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-[2-[(4-fluorophenyl)methyl-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide (CID 25316221) is N-[2-[(4-fluorophenyl)methyl-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-[(4-fluorophenyl)methyl-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for N-[2-[(4-fluorophenyl)methyl-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide is O=C(NCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccco1)c1ccccc1)c1ccco1.

What is the InChIKey of N-[2-[(4-fluorophenyl)methyl-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide?

The InChIKey is XEROMQUGHAASNN-VWLOTQADSA-N. The full InChI is InChI=1S/C27H24FN3O5/c28-21-12-10-19(11-13-21)18-31(24(32)17-30-26(33)23-9-5-15-36-23)25(20-6-2-1-3-7-20)27(34)29-16-22-8-4-14-35-22/h1-15,25H,16-18H2,(H,29,34)(H,30,33)/t25-/m0/s1.

What are the key properties of N-[2-[(4-fluorophenyl)methyl-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide?

N-[2-[(4-fluorophenyl)methyl-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 489.50 g/mol, XLogP of 3.83, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(4-fluorophenyl)methyl-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 25316221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).