4-[(3R)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide

C24H22Cl2F3N3O3 — CID 89253503

IUPAC4-[(3R)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide
SMILESCCN1OC[C@@H](NC(=O)c2ccc(C3=NC[C@@](c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)cc2C)C1=O
InChIInChI=1S/C24H22Cl2F3N3O3/c1-3-32-22(34)20(11-35-32)31-21(33)18-5-4-14(6-13(18)2)19-10-23(12-30-19,24(27,28)29)15-7-16(25)9-17(26)8-15/h4-9,20H,3,10-12H2,1-2H3,(H,31,33)/t20-,23+/m1/s1
InChIKeyYDDMLPJBXLDYMJ-OFNKIYASSA-N
MW528.36 g/mol
LogP4.89
Rot. Bonds5

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

4-[(3R)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide (PubChem CID 89253503) has the molecular formula C24H22Cl2F3N3O3 and a molecular weight of 528.36 g/mol. Its IUPAC name is 4-[(3R)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound Name4-[(3R)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide
PubChem CID89253503
Molecular FormulaC24H22Cl2F3N3O3
Molecular Weight528.36 g/mol
Exact Mass527.10
IUPAC Name4-[(3R)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide
SMILESCCN1OC[C@@H](NC(=O)c2ccc(C3=NC[C@@](c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)cc2C)C1=O
InChIInChI=1S/C24H22Cl2F3N3O3/c1-3-32-22(34)20(11-35-32)31-21(33)18-5-4-14(6-13(18)2)19-10-23(12-30-19,24(27,28)29)15-7-16(25)9-17(26)8-15/h4-9,20H,3,10-12H2,1-2H3,(H,31,33)/t20-,23+/m1/s1
InChIKeyYDDMLPJBXLDYMJ-OFNKIYASSA-N
XLogP4.89
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.36
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(3R)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide?
The IUPAC name of 4-[(3R)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide (CID 89253503) is 4-[(3R)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for 4-[(3R)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide?
The canonical SMILES for 4-[(3R)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide is CCN1OC[C@@H](NC(=O)c2ccc(C3=NC[C@@](c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)cc2C)C1=O.
What is the InChIKey of 4-[(3R)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide?
The InChIKey is YDDMLPJBXLDYMJ-OFNKIYASSA-N. The full InChI is InChI=1S/C24H22Cl2F3N3O3/c1-3-32-22(34)20(11-35-32)31-21(33)18-5-4-14(6-13(18)2)19-10-23(12-30-19,24(27,28)29)15-7-16(25)9-17(26)8-15/h4-9,20H,3,10-12H2,1-2H3,(H,31,33)/t20-,23+/m1/s1.
What are the key properties of 4-[(3R)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide?
4-[(3R)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide has a molecular weight of 528.36 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 89253503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).