2-[(2S)-5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-ylpyrrolidin-2-yl]ethanol

C22H26Cl2FNO — CID 174808021

IUPAC2-[(2S)-5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-ylpyrrolidin-2-yl]ethanol
SMILESCc1cc(Cl)ccc1C1C(c2cccc(Cl)c2F)N[C@@H](CCO)C1C(C)C
InChIInChI=1S/C22H26Cl2FNO/c1-12(2)19-18(9-10-27)26-22(16-5-4-6-17(24)21(16)25)20(19)15-8-7-14(23)11-13(15)3/h4-8,11-12,18-20,22,26-27H,9-10H2,1-3H3/t18-,19?,20?,22?/m0/s1
InChIKeyWOLQNWBWFJXEKL-GXYLUKSESA-N
MW410.36 g/mol
LogP5.89
Rot. Bonds5

About 2-[(2S)-5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-ylpyrrolidin-2-yl]ethanol

2-[(2S)-5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-ylpyrrolidin-2-yl]ethanol (PubChem CID 174808021) has the molecular formula C22H26Cl2FNO and a molecular weight of 410.36 g/mol. Its IUPAC name is 2-[(2S)-5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-ylpyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-ylpyrrolidin-2-yl]ethanol
PubChem CID174808021
Molecular FormulaC22H26Cl2FNO
Molecular Weight410.36 g/mol
Exact Mass409.14
IUPAC Name2-[(2S)-5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-ylpyrrolidin-2-yl]ethanol
SMILESCc1cc(Cl)ccc1C1C(c2cccc(Cl)c2F)N[C@@H](CCO)C1C(C)C
InChIInChI=1S/C22H26Cl2FNO/c1-12(2)19-18(9-10-27)26-22(16-5-4-6-17(24)21(16)25)20(19)15-8-7-14(23)11-13(15)3/h4-8,11-12,18-20,22,26-27H,9-10H2,1-3H3/t18-,19?,20?,22?/m0/s1
InChIKeyWOLQNWBWFJXEKL-GXYLUKSESA-N
XLogP5.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.36
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(2S)-5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-ylpyrrolidin-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-ylpyrrolidin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-ylpyrrolidin-2-yl]ethanol (CID 174808021) is 2-[(2S)-5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-ylpyrrolidin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-ylpyrrolidin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-ylpyrrolidin-2-yl]ethanol is Cc1cc(Cl)ccc1C1C(c2cccc(Cl)c2F)N[C@@H](CCO)C1C(C)C.
What is the InChIKey of 2-[(2S)-5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-ylpyrrolidin-2-yl]ethanol?
The InChIKey is WOLQNWBWFJXEKL-GXYLUKSESA-N. The full InChI is InChI=1S/C22H26Cl2FNO/c1-12(2)19-18(9-10-27)26-22(16-5-4-6-17(24)21(16)25)20(19)15-8-7-14(23)11-13(15)3/h4-8,11-12,18-20,22,26-27H,9-10H2,1-3H3/t18-,19?,20?,22?/m0/s1.
What are the key properties of 2-[(2S)-5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-ylpyrrolidin-2-yl]ethanol?
2-[(2S)-5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-ylpyrrolidin-2-yl]ethanol has a molecular weight of 410.36 g/mol, XLogP of 5.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-ylpyrrolidin-2-yl]ethanol is sourced from PubChem (CID 174808021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).