4-chloro-5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole;1-chloropyrrolidine-2,5-dione;5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole

C50H35Cl2F10N3O4 — CID 159932099

IUPAC4-chloro-5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole;1-chloropyrrolidine-2,5-dione;5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
SMILESFc1cccc(F)c1C1=NC(c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1.Fc1cccc(F)c1C1=NC(c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1Cl.O=C1CCC(=O)N1Cl
InChIInChI=1S/C23H15ClF5NO.C23H16F5NO.C4H4ClNO2/c24-17-12-20(30-22(17)21-18(25)2-1-3-19(21)26)15-6-4-13(5-7-15)14-8-10-16(11-9-14)31-23(27,28)29;24-18-2-1-3-19(25)22(18)21-13-12-20(29-21)16-6-4-14(5-7-16)15-8-10-17(11-9-15)30-23(26,27)28;5-6-3(7)1-2-4(6)8/h1-11,17,20H,12H2;1-11,20H,12-13H2;1-2H2
InChIKeyNZTRSVOZQUOESS-UHFFFAOYSA-N
MW1002.73 g/mol
LogP14.22
Rot. Bonds8

About 4-chloro-5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole;1-chloropyrrolidine-2,5-dione;5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole

4-chloro-5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole;1-chloropyrrolidine-2,5-dione;5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole (PubChem CID 159932099) has the molecular formula C50H35Cl2F10N3O4 and a molecular weight of 1002.73 g/mol. Its IUPAC name is 4-chloro-5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole;1-chloropyrrolidine-2,5-dione;5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name4-chloro-5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole;1-chloropyrrolidine-2,5-dione;5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
PubChem CID159932099
Molecular FormulaC50H35Cl2F10N3O4
Molecular Weight1002.73 g/mol
Exact Mass1001.18
IUPAC Name4-chloro-5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole;1-chloropyrrolidine-2,5-dione;5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
SMILESFc1cccc(F)c1C1=NC(c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1.Fc1cccc(F)c1C1=NC(c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1Cl.O=C1CCC(=O)N1Cl
InChIInChI=1S/C23H15ClF5NO.C23H16F5NO.C4H4ClNO2/c24-17-12-20(30-22(17)21-18(25)2-1-3-19(21)26)15-6-4-13(5-7-15)14-8-10-16(11-9-14)31-23(27,28)29;24-18-2-1-3-19(25)22(18)21-13-12-20(29-21)16-6-4-14(5-7-16)15-8-10-17(11-9-15)30-23(26,27)28;5-6-3(7)1-2-4(6)8/h1-11,17,20H,12H2;1-11,20H,12-13H2;1-2H2
InChIKeyNZTRSVOZQUOESS-UHFFFAOYSA-N
XLogP14.22
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001002.73
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-Acetyl-3,3-dimethyl-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]pyrrolidin-2-one;5-(2,6-difluorophenyl)-4,4-dimethyl-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-2,3-dihydropyrrole
CID 160562726

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole;1-chloropyrrolidine-2,5-dione;5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of 4-chloro-5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole;1-chloropyrrolidine-2,5-dione;5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole (CID 159932099) is 4-chloro-5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole;1-chloropyrrolidine-2,5-dione;5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 4-chloro-5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole;1-chloropyrrolidine-2,5-dione;5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 4-chloro-5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole;1-chloropyrrolidine-2,5-dione;5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole is Fc1cccc(F)c1C1=NC(c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1.Fc1cccc(F)c1C1=NC(c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1Cl.O=C1CCC(=O)N1Cl.
What is the InChIKey of 4-chloro-5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole;1-chloropyrrolidine-2,5-dione;5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
The InChIKey is NZTRSVOZQUOESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF5NO.C23H16F5NO.C4H4ClNO2/c24-17-12-20(30-22(17)21-18(25)2-1-3-19(21)26)15-6-4-13(5-7-15)14-8-10-16(11-9-14)31-23(27,28)29;24-18-2-1-3-19(25)22(18)21-13-12-20(29-21)16-6-4-14(5-7-16)15-8-10-17(11-9-15)30-23(26,27)28;5-6-3(7)1-2-4(6)8/h1-11,17,20H,12H2;1-11,20H,12-13H2;1-2H2.
What are the key properties of 4-chloro-5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole;1-chloropyrrolidine-2,5-dione;5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
4-chloro-5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole;1-chloropyrrolidine-2,5-dione;5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole has a molecular weight of 1002.73 g/mol, XLogP of 14.22, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole;1-chloropyrrolidine-2,5-dione;5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 159932099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).