N-[2-(3-chloro-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide

C24H23ClFN3O5 — CID 3211384

About N-[2-(3-chloro-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide

N-[2-(3-chloro-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 3211384) has the molecular formula C24H23ClFN3O5 and a molecular weight of 487.92 g/mol. Its IUPAC name is N-[2-(3-chloro-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3-chloro-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 3211384
• Molecular Formula: C24H23ClFN3O5
• Molecular Weight: 487.92 g/mol
• Exact Mass: 487.13
• IUPAC Name: N-[2-(3-chloro-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide
• SMILES: O=C(NCC(=O)N(c1ccc(F)c(Cl)c1)C(C(=O)NC1CCCC1)c1ccco1)c1ccco1
• InChI: InChI=1S/C24H23ClFN3O5/c25-17-13-16(9-10-18(17)26)29(21(30)14-27-23(31)20-8-4-12-34-20)22(19-7-3-11-33-19)24(32)28-15-5-1-2-6-15/h3-4,7-13,15,22H,1-2,5-6,14H2,(H,27,31)(H,28,32)
• InChIKey: AEMFXQQEHJYLJI-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 104.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.92
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-[2-(3-chloro-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide (CID 3211384) is N-[2-(3-chloro-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-(3-chloro-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for N-[2-(3-chloro-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide is O=C(NCC(=O)N(c1ccc(F)c(Cl)c1)C(C(=O)NC1CCCC1)c1ccco1)c1ccco1.

What is the InChIKey of N-[2-(3-chloro-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide?

The InChIKey is AEMFXQQEHJYLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O5/c25-17-13-16(9-10-18(17)26)29(21(30)14-27-23(31)20-8-4-12-34-20)22(19-7-3-11-33-19)24(32)28-15-5-1-2-6-15/h3-4,7-13,15,22H,1-2,5-6,14H2,(H,27,31)(H,28,32).

What are the key properties of N-[2-(3-chloro-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide?

N-[2-(3-chloro-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 487.92 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-chloro-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 3211384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).