N-[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethylphenyl)furan-2-carboxamide

C26H27FN2O3 — CID 1469234

About N-[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethylphenyl)furan-2-carboxamide

N-[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethylphenyl)furan-2-carboxamide (PubChem CID 1469234) has the molecular formula C26H27FN2O3 and a molecular weight of 434.51 g/mol. Its IUPAC name is N-[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethylphenyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethylphenyl)furan-2-carboxamide
• PubChem CID: 1469234
• Molecular Formula: C26H27FN2O3
• Molecular Weight: 434.51 g/mol
• Exact Mass: 434.20
• IUPAC Name: N-[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethylphenyl)furan-2-carboxamide
• SMILES: Cc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)c(C)c1
• InChI: InChI=1S/C26H27FN2O3/c1-17-13-14-22(18(2)16-17)29(26(31)23-12-7-15-32-23)24(20-10-5-6-11-21(20)27)25(30)28-19-8-3-4-9-19/h5-7,10-16,19,24H,3-4,8-9H2,1-2H3,(H,28,30)/t24-/m1/s1
• InChIKey: GGYWADWHVSIDEX-XMMPIXPASA-N
• XLogP: 5.48
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.51
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethylphenyl)furan-2-carboxamide (CID 1469234) is N-[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethylphenyl)furan-2-carboxamide.

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

The canonical SMILES for N-[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethylphenyl)furan-2-carboxamide is Cc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)c(C)c1.

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

The InChIKey is GGYWADWHVSIDEX-XMMPIXPASA-N. The full InChI is InChI=1S/C26H27FN2O3/c1-17-13-14-22(18(2)16-17)29(26(31)23-12-7-15-32-23)24(20-10-5-6-11-21(20)27)25(30)28-19-8-3-4-9-19/h5-7,10-16,19,24H,3-4,8-9H2,1-2H3,(H,28,30)/t24-/m1/s1.

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

N-[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethylphenyl)furan-2-carboxamide has a molecular weight of 434.51 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 1469234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).