N-[(2-chlorophenyl)methyl]-N-[(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide

C30H33ClFN3O5 — CID 1142427

About N-[(2-chlorophenyl)methyl]-N-[(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide

N-[(2-chlorophenyl)methyl]-N-[(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide (PubChem CID 1142427) has the molecular formula C30H33ClFN3O5 and a molecular weight of 570.06 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-[(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-N-[(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide
• PubChem CID: 1142427
• Molecular Formula: C30H33ClFN3O5
• Molecular Weight: 570.06 g/mol
• Exact Mass: 569.21
• IUPAC Name: N-[(2-chlorophenyl)methyl]-N-[(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide
• SMILES: O=C(NC[C@@H]1CCCO1)[C@@H](c1ccc(F)cc1)N(Cc1ccccc1Cl)C(=O)c1ccc(CN2CCOCC2)o1
• InChI: InChI=1S/C30H33ClFN3O5/c31-26-6-2-1-4-22(26)19-35(30(37)27-12-11-25(40-27)20-34-13-16-38-17-14-34)28(21-7-9-23(32)10-8-21)29(36)33-18-24-5-3-15-39-24/h1-2,4,6-12,24,28H,3,5,13-20H2,(H,33,36)/t24-,28+/m0/s1
• InChIKey: UJJBFLWRZBRRSZ-RBJSKKJNSA-N
• XLogP: 4.58
• TPSA: 84.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.06
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-[(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide?

The IUPAC name of N-[(2-chlorophenyl)methyl]-N-[(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide (CID 1142427) is N-[(2-chlorophenyl)methyl]-N-[(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-[(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-[(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide is O=C(NC[C@@H]1CCCO1)[C@@H](c1ccc(F)cc1)N(Cc1ccccc1Cl)C(=O)c1ccc(CN2CCOCC2)o1.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-[(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide?

The InChIKey is UJJBFLWRZBRRSZ-RBJSKKJNSA-N. The full InChI is InChI=1S/C30H33ClFN3O5/c31-26-6-2-1-4-22(26)19-35(30(37)27-12-11-25(40-27)20-34-13-16-38-17-14-34)28(21-7-9-23(32)10-8-21)29(36)33-18-24-5-3-15-39-24/h1-2,4,6-12,24,28H,3,5,13-20H2,(H,33,36)/t24-,28+/m0/s1.

What are the key properties of N-[(2-chlorophenyl)methyl]-N-[(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide?

N-[(2-chlorophenyl)methyl]-N-[(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide has a molecular weight of 570.06 g/mol, XLogP of 4.58, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-N-[(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 1142427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).