4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-[(4R)-3-oxo-2-(3-phenylpropyl)-1,2-oxazolidin-4-yl]benzamide

C31H28Cl2F3N3O3 — CID 155653975

About 4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-[(4R)-3-oxo-2-(3-phenylpropyl)-1,2-oxazolidin-4-yl]benzamide

4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-[(4R)-3-oxo-2-(3-phenylpropyl)-1,2-oxazolidin-4-yl]benzamide (PubChem CID 155653975) has the molecular formula C31H28Cl2F3N3O3 and a molecular weight of 618.48 g/mol. Its IUPAC name is 4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-[(4R)-3-oxo-2-(3-phenylpropyl)-1,2-oxazolidin-4-yl]benzamide.

Molecular Properties

• Compound Name: 4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-[(4R)-3-oxo-2-(3-phenylpropyl)-1,2-oxazolidin-4-yl]benzamide
• PubChem CID: 155653975
• Molecular Formula: C31H28Cl2F3N3O3
• Molecular Weight: 618.48 g/mol
• Exact Mass: 617.15
• IUPAC Name: 4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-[(4R)-3-oxo-2-(3-phenylpropyl)-1,2-oxazolidin-4-yl]benzamide
• SMILES: Cc1cc(C2=NCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)N[C@@H]1CON(CCCc2ccccc2)C1=O
• InChI: InChI=1S/C31H28Cl2F3N3O3/c1-19-12-21(26-16-30(18-37-26,31(34,35)36)22-13-23(32)15-24(33)14-22)9-10-25(19)28(40)38-27-17-42-39(29(27)41)11-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-10,12-15,27H,5,8,11,16-18H2,1H3,(H,38,40)/t27-,30?/m1/s1
• InChIKey: UIZWINQMQHYYCF-NHQUYOMTSA-N
• XLogP: 6.50
• TPSA: 71.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.48
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-[(4R)-3-oxo-2-(3-phenylpropyl)-1,2-oxazolidin-4-yl]benzamide?

The IUPAC name of 4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-[(4R)-3-oxo-2-(3-phenylpropyl)-1,2-oxazolidin-4-yl]benzamide (CID 155653975) is 4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-[(4R)-3-oxo-2-(3-phenylpropyl)-1,2-oxazolidin-4-yl]benzamide.

What is the SMILES notation for 4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-[(4R)-3-oxo-2-(3-phenylpropyl)-1,2-oxazolidin-4-yl]benzamide?

The canonical SMILES for 4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-[(4R)-3-oxo-2-(3-phenylpropyl)-1,2-oxazolidin-4-yl]benzamide is Cc1cc(C2=NCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)N[C@@H]1CON(CCCc2ccccc2)C1=O.

What is the InChIKey of 4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-[(4R)-3-oxo-2-(3-phenylpropyl)-1,2-oxazolidin-4-yl]benzamide?

The InChIKey is UIZWINQMQHYYCF-NHQUYOMTSA-N. The full InChI is InChI=1S/C31H28Cl2F3N3O3/c1-19-12-21(26-16-30(18-37-26,31(34,35)36)22-13-23(32)15-24(33)14-22)9-10-25(19)28(40)38-27-17-42-39(29(27)41)11-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-10,12-15,27H,5,8,11,16-18H2,1H3,(H,38,40)/t27-,30?/m1/s1.

What are the key properties of 4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-[(4R)-3-oxo-2-(3-phenylpropyl)-1,2-oxazolidin-4-yl]benzamide?

4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-[(4R)-3-oxo-2-(3-phenylpropyl)-1,2-oxazolidin-4-yl]benzamide has a molecular weight of 618.48 g/mol, XLogP of 6.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-[(4R)-3-oxo-2-(3-phenylpropyl)-1,2-oxazolidin-4-yl]benzamide is sourced from PubChem (CID 155653975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).