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

C26H27FN2O4 — CID 1441771

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

N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide (PubChem CID 1441771) has the molecular formula C26H27FN2O4 and a molecular weight of 450.51 g/mol. Its IUPAC name is N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
• PubChem CID: 1441771
• Molecular Formula: C26H27FN2O4
• Molecular Weight: 450.51 g/mol
• Exact Mass: 450.20
• IUPAC Name: N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
• SMILES: COc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1
• InChI: InChI=1S/C26H27FN2O4/c1-32-22-15-13-21(14-16-22)29(26(31)23-8-5-17-33-23)24(18-9-11-19(27)12-10-18)25(30)28-20-6-3-2-4-7-20/h5,8-17,20,24H,2-4,6-7H2,1H3,(H,28,30)/t24-/m1/s1
• InChIKey: OJMIYWKTSIISKQ-XMMPIXPASA-N
• XLogP: 5.26
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.51
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide (CID 1441771) is N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide.

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

The canonical SMILES for N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide is COc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1.

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

The InChIKey is OJMIYWKTSIISKQ-XMMPIXPASA-N. The full InChI is InChI=1S/C26H27FN2O4/c1-32-22-15-13-21(14-16-22)29(26(31)23-8-5-17-33-23)24(18-9-11-19(27)12-10-18)25(30)28-20-6-3-2-4-7-20/h5,8-17,20,24H,2-4,6-7H2,1H3,(H,28,30)/t24-/m1/s1.

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

N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide has a molecular weight of 450.51 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 1441771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).