3-(3,5-dichlorophenyl)-5-(3-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole

C18H14Cl2F3N — CID 141305933

IUPAC3-(3,5-dichlorophenyl)-5-(3-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole
SMILESCc1cccc(C2=NCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1
InChIInChI=1S/C18H14Cl2F3N/c1-11-3-2-4-12(5-11)16-9-17(10-24-16,18(21,22)23)13-6-14(19)8-15(20)7-13/h2-8H,9-10H2,1H3
InChIKeyWHEQZPVANFMMPC-UHFFFAOYSA-N
MW372.22 g/mol
LogP5.99
Rot. Bonds2

About 3-(3,5-dichlorophenyl)-5-(3-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole

3-(3,5-dichlorophenyl)-5-(3-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole (PubChem CID 141305933) has the molecular formula C18H14Cl2F3N and a molecular weight of 372.22 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-5-(3-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-5-(3-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole
PubChem CID141305933
Molecular FormulaC18H14Cl2F3N
Molecular Weight372.22 g/mol
Exact Mass371.05
IUPAC Name3-(3,5-dichlorophenyl)-5-(3-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole
SMILESCc1cccc(C2=NCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1
InChIInChI=1S/C18H14Cl2F3N/c1-11-3-2-4-12(5-11)16-9-17(10-24-16,18(21,22)23)13-6-14(19)8-15(20)7-13/h2-8H,9-10H2,1H3
InChIKeyWHEQZPVANFMMPC-UHFFFAOYSA-N
XLogP5.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.22
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-5-(3-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole?
The IUPAC name of 3-(3,5-dichlorophenyl)-5-(3-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole (CID 141305933) is 3-(3,5-dichlorophenyl)-5-(3-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-5-(3-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole?
The canonical SMILES for 3-(3,5-dichlorophenyl)-5-(3-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole is Cc1cccc(C2=NCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-5-(3-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole?
The InChIKey is WHEQZPVANFMMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2F3N/c1-11-3-2-4-12(5-11)16-9-17(10-24-16,18(21,22)23)13-6-14(19)8-15(20)7-13/h2-8H,9-10H2,1H3.
What are the key properties of 3-(3,5-dichlorophenyl)-5-(3-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole?
3-(3,5-dichlorophenyl)-5-(3-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole has a molecular weight of 372.22 g/mol, XLogP of 5.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-5-(3-methylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole is sourced from PubChem (CID 141305933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).