N-[(4R)-4-(4-chlorophenyl)-2-oxo-1-[2-oxo-1-(3,3,3-trifluoropropyl)-3-pyridinyl]pyrrolidin-3-yl]-4-(difluoromethoxy)benzamide

C26H21ClF5N3O4 — CID 162437757

About N-[(4R)-4-(4-chlorophenyl)-2-oxo-1-[2-oxo-1-(3,3,3-trifluoropropyl)-3-pyridinyl]pyrrolidin-3-yl]-4-(difluoromethoxy)benzamide

N-[(4R)-4-(4-chlorophenyl)-2-oxo-1-[2-oxo-1-(3,3,3-trifluoropropyl)-3-pyridinyl]pyrrolidin-3-yl]-4-(difluoromethoxy)benzamide (PubChem CID 162437757) has the molecular formula C26H21ClF5N3O4 and a molecular weight of 569.91 g/mol. Its IUPAC name is N-[(4R)-4-(4-chlorophenyl)-2-oxo-1-[2-oxo-1-(3,3,3-trifluoropropyl)-3-pyridinyl]pyrrolidin-3-yl]-4-(difluoromethoxy)benzamide.

Molecular Properties

• Compound Name: N-[(4R)-4-(4-chlorophenyl)-2-oxo-1-[2-oxo-1-(3,3,3-trifluoropropyl)-3-pyridinyl]pyrrolidin-3-yl]-4-(difluoromethoxy)benzamide
• PubChem CID: 162437757
• Molecular Formula: C26H21ClF5N3O4
• Molecular Weight: 569.91 g/mol
• Exact Mass: 569.11
• IUPAC Name: N-[(4R)-4-(4-chlorophenyl)-2-oxo-1-[2-oxo-1-(3,3,3-trifluoropropyl)-3-pyridinyl]pyrrolidin-3-yl]-4-(difluoromethoxy)benzamide
• SMILES: O=C(NC1C(=O)N(c2cccn(CCC(F)(F)F)c2=O)C[C@H]1c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1
• InChI: InChI=1S/C26H21ClF5N3O4/c27-17-7-3-15(4-8-17)19-14-35(20-2-1-12-34(23(20)37)13-11-26(30,31)32)24(38)21(19)33-22(36)16-5-9-18(10-6-16)39-25(28)29/h1-10,12,19,21,25H,11,13-14H2,(H,33,36)/t19-,21?/m0/s1
• InChIKey: PZBVRKJESKLSHV-ZQRQZVKFSA-N
• XLogP: 4.98
• TPSA: 80.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.91
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-(4-chlorophenyl)-2-oxo-1-[2-oxo-1-(3,3,3-trifluoropropyl)-3-pyridinyl]pyrrolidin-3-yl]-4-(difluoromethoxy)benzamide?

The IUPAC name of N-[(4R)-4-(4-chlorophenyl)-2-oxo-1-[2-oxo-1-(3,3,3-trifluoropropyl)-3-pyridinyl]pyrrolidin-3-yl]-4-(difluoromethoxy)benzamide (CID 162437757) is N-[(4R)-4-(4-chlorophenyl)-2-oxo-1-[2-oxo-1-(3,3,3-trifluoropropyl)-3-pyridinyl]pyrrolidin-3-yl]-4-(difluoromethoxy)benzamide.

What is the SMILES notation for N-[(4R)-4-(4-chlorophenyl)-2-oxo-1-[2-oxo-1-(3,3,3-trifluoropropyl)-3-pyridinyl]pyrrolidin-3-yl]-4-(difluoromethoxy)benzamide?

The canonical SMILES for N-[(4R)-4-(4-chlorophenyl)-2-oxo-1-[2-oxo-1-(3,3,3-trifluoropropyl)-3-pyridinyl]pyrrolidin-3-yl]-4-(difluoromethoxy)benzamide is O=C(NC1C(=O)N(c2cccn(CCC(F)(F)F)c2=O)C[C@H]1c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1.

What is the InChIKey of N-[(4R)-4-(4-chlorophenyl)-2-oxo-1-[2-oxo-1-(3,3,3-trifluoropropyl)-3-pyridinyl]pyrrolidin-3-yl]-4-(difluoromethoxy)benzamide?

The InChIKey is PZBVRKJESKLSHV-ZQRQZVKFSA-N. The full InChI is InChI=1S/C26H21ClF5N3O4/c27-17-7-3-15(4-8-17)19-14-35(20-2-1-12-34(23(20)37)13-11-26(30,31)32)24(38)21(19)33-22(36)16-5-9-18(10-6-16)39-25(28)29/h1-10,12,19,21,25H,11,13-14H2,(H,33,36)/t19-,21?/m0/s1.

What are the key properties of N-[(4R)-4-(4-chlorophenyl)-2-oxo-1-[2-oxo-1-(3,3,3-trifluoropropyl)-3-pyridinyl]pyrrolidin-3-yl]-4-(difluoromethoxy)benzamide?

N-[(4R)-4-(4-chlorophenyl)-2-oxo-1-[2-oxo-1-(3,3,3-trifluoropropyl)-3-pyridinyl]pyrrolidin-3-yl]-4-(difluoromethoxy)benzamide has a molecular weight of 569.91 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4R)-4-(4-chlorophenyl)-2-oxo-1-[2-oxo-1-(3,3,3-trifluoropropyl)-3-pyridinyl]pyrrolidin-3-yl]-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 162437757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).