N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide

C28H30ClN3O4 — CID 3196416

About N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide

N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide (PubChem CID 3196416) has the molecular formula C28H30ClN3O4 and a molecular weight of 508.02 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 3196416
• Molecular Formula: C28H30ClN3O4
• Molecular Weight: 508.02 g/mol
• Exact Mass: 507.19
• IUPAC Name: N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide
• SMILES: O=C(NC1CCCC1)C(c1ccc(N2CCOCC2)cc1)N(C(=O)c1ccco1)c1cccc(Cl)c1
• InChI: InChI=1S/C28H30ClN3O4/c29-21-5-3-8-24(19-21)32(28(34)25-9-4-16-36-25)26(27(33)30-22-6-1-2-7-22)20-10-12-23(13-11-20)31-14-17-35-18-15-31/h3-5,8-13,16,19,22,26H,1-2,6-7,14-15,17-18H2,(H,30,33)
• InChIKey: NPVKXUZWCLMIFQ-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 75.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.02
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide (CID 3196416) is N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide is O=C(NC1CCCC1)C(c1ccc(N2CCOCC2)cc1)N(C(=O)c1ccco1)c1cccc(Cl)c1.

What is the InChIKey of N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide?

The InChIKey is NPVKXUZWCLMIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN3O4/c29-21-5-3-8-24(19-21)32(28(34)25-9-4-16-36-25)26(27(33)30-22-6-1-2-7-22)20-10-12-23(13-11-20)31-14-17-35-18-15-31/h3-5,8-13,16,19,22,26H,1-2,6-7,14-15,17-18H2,(H,30,33).

What are the key properties of N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide?

N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 508.02 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 3196416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).