N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide

C24H24FN3O5 — CID 3211386

About N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide

N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 3211386) has the molecular formula C24H24FN3O5 and a molecular weight of 453.47 g/mol. Its IUPAC name is N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 3211386
• Molecular Formula: C24H24FN3O5
• Molecular Weight: 453.47 g/mol
• Exact Mass: 453.17
• IUPAC Name: N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide
• SMILES: O=C(NCC(=O)N(c1ccc(F)cc1)C(C(=O)NC1CCCC1)c1ccco1)c1ccco1
• InChI: InChI=1S/C24H24FN3O5/c25-16-9-11-18(12-10-16)28(21(29)15-26-23(30)20-8-4-14-33-20)22(19-7-3-13-32-19)24(31)27-17-5-1-2-6-17/h3-4,7-14,17,22H,1-2,5-6,15H2,(H,26,30)(H,27,31)
• InChIKey: YXSBONGRHOBJJI-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 104.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.47
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide (CID 3211386) is N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide.

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

The canonical SMILES for N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide is O=C(NCC(=O)N(c1ccc(F)cc1)C(C(=O)NC1CCCC1)c1ccco1)c1ccco1.

What is the InChIKey of N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide?

The InChIKey is YXSBONGRHOBJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O5/c25-16-9-11-18(12-10-16)28(21(29)15-26-23(30)20-8-4-14-33-20)22(19-7-3-13-32-19)24(31)27-17-5-1-2-6-17/h3-4,7-14,17,22H,1-2,5-6,15H2,(H,26,30)(H,27,31).

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

N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 453.47 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 3211386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).