N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide

C26H26F2N2O3 — CID 1441797

About N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide

N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide (PubChem CID 1441797) has the molecular formula C26H26F2N2O3 and a molecular weight of 452.50 g/mol. Its IUPAC name is N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
• PubChem CID: 1441797
• Molecular Formula: C26H26F2N2O3
• Molecular Weight: 452.50 g/mol
• Exact Mass: 452.19
• IUPAC Name: N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
• SMILES: O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)c1ccco1
• InChI: InChI=1S/C26H26F2N2O3/c27-20-12-8-18(9-13-20)17-30(26(32)23-7-4-16-33-23)24(19-10-14-21(28)15-11-19)25(31)29-22-5-2-1-3-6-22/h4,7-16,22,24H,1-3,5-6,17H2,(H,29,31)/t24-/m1/s1
• InChIKey: METHYXQRYCDAHJ-XMMPIXPASA-N
• XLogP: 5.39
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.50
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?

The IUPAC name of N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide (CID 1441797) is N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide.

What is the SMILES notation for N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?

The canonical SMILES for N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide is O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)c1ccco1.

What is the InChIKey of N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?

The InChIKey is METHYXQRYCDAHJ-XMMPIXPASA-N. The full InChI is InChI=1S/C26H26F2N2O3/c27-20-12-8-18(9-13-20)17-30(26(32)23-7-4-16-33-23)24(19-10-14-21(28)15-11-19)25(31)29-22-5-2-1-3-6-22/h4,7-16,22,24H,1-3,5-6,17H2,(H,29,31)/t24-/m1/s1.

What are the key properties of N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?

N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide has a molecular weight of 452.50 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 1441797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).