(2R)-5-(2-chlorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole

C23H17ClF3NO — CID 12009788

IUPAC(2R)-5-(2-chlorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
SMILESFC(F)(F)Oc1ccc(-c2ccc([C@H]3CCC(c4ccccc4Cl)=N3)cc2)cc1
InChIInChI=1S/C23H17ClF3NO/c24-20-4-2-1-3-19(20)22-14-13-21(28-22)17-7-5-15(6-8-17)16-9-11-18(12-10-16)29-23(25,26)27/h1-12,21H,13-14H2/t21-/m1/s1
InChIKeyQKDQIMGQGJWUKA-OAQYLSRUSA-N
MW415.84 g/mol
LogP7.23
Rot. Bonds4

About (2R)-5-(2-chlorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole

(2R)-5-(2-chlorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole (PubChem CID 12009788) has the molecular formula C23H17ClF3NO and a molecular weight of 415.84 g/mol. Its IUPAC name is (2R)-5-(2-chlorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name(2R)-5-(2-chlorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
PubChem CID12009788
Molecular FormulaC23H17ClF3NO
Molecular Weight415.84 g/mol
Exact Mass415.10
IUPAC Name(2R)-5-(2-chlorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
SMILESFC(F)(F)Oc1ccc(-c2ccc([C@H]3CCC(c4ccccc4Cl)=N3)cc2)cc1
InChIInChI=1S/C23H17ClF3NO/c24-20-4-2-1-3-19(20)22-14-13-21(28-22)17-7-5-15(6-8-17)16-9-11-18(12-10-16)29-23(25,26)27/h1-12,21H,13-14H2/t21-/m1/s1
InChIKeyQKDQIMGQGJWUKA-OAQYLSRUSA-N
XLogP7.23
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.84
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-(2-chlorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of (2R)-5-(2-chlorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole (CID 12009788) is (2R)-5-(2-chlorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for (2R)-5-(2-chlorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for (2R)-5-(2-chlorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole is FC(F)(F)Oc1ccc(-c2ccc([C@H]3CCC(c4ccccc4Cl)=N3)cc2)cc1.
What is the InChIKey of (2R)-5-(2-chlorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
The InChIKey is QKDQIMGQGJWUKA-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H17ClF3NO/c24-20-4-2-1-3-19(20)22-14-13-21(28-22)17-7-5-15(6-8-17)16-9-11-18(12-10-16)29-23(25,26)27/h1-12,21H,13-14H2/t21-/m1/s1.
What are the key properties of (2R)-5-(2-chlorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
(2R)-5-(2-chlorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole has a molecular weight of 415.84 g/mol, XLogP of 7.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(2-chlorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 12009788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).