N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(2-hydroxypropyl)-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide

C26H24ClF2N3O5 — CID 169319034

About N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(2-hydroxypropyl)-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide

N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(2-hydroxypropyl)-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide (PubChem CID 169319034) has the molecular formula C26H24ClF2N3O5 and a molecular weight of 531.94 g/mol. Its IUPAC name is N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(2-hydroxypropyl)-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide.

Molecular Properties

• Compound Name: N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(2-hydroxypropyl)-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide
• PubChem CID: 169319034
• Molecular Formula: C26H24ClF2N3O5
• Molecular Weight: 531.94 g/mol
• Exact Mass: 531.14
• IUPAC Name: N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(2-hydroxypropyl)-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide
• SMILES: CC(O)Cn1cccc(N2C[C@@H](c3ccc(Cl)cc3)[C@H](NC(=O)c3ccc(OC(F)F)cc3)C2=O)c1=O
• InChI: InChI=1S/C26H24ClF2N3O5/c1-15(33)13-31-12-2-3-21(24(31)35)32-14-20(16-4-8-18(27)9-5-16)22(25(32)36)30-23(34)17-6-10-19(11-7-17)37-26(28)29/h2-12,15,20,22,26,33H,13-14H2,1H3,(H,30,34)/t15?,20-,22-/m0/s1
• InChIKey: HCHCEGRMMABYQA-RALLNDFZSA-N
• XLogP: 3.41
• TPSA: 100.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.94
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(2-hydroxypropyl)-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide (CID 169319034) is N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(2-hydroxypropyl)-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide.

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

The canonical SMILES for N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(2-hydroxypropyl)-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide is CC(O)Cn1cccc(N2C[C@@H](c3ccc(Cl)cc3)[C@H](NC(=O)c3ccc(OC(F)F)cc3)C2=O)c1=O.

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

The InChIKey is HCHCEGRMMABYQA-RALLNDFZSA-N. The full InChI is InChI=1S/C26H24ClF2N3O5/c1-15(33)13-31-12-2-3-21(24(31)35)32-14-20(16-4-8-18(27)9-5-16)22(25(32)36)30-23(34)17-6-10-19(11-7-17)37-26(28)29/h2-12,15,20,22,26,33H,13-14H2,1H3,(H,30,34)/t15?,20-,22-/m0/s1.

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

N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(2-hydroxypropyl)-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide has a molecular weight of 531.94 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(2-hydroxypropyl)-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 169319034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).