3-[5-chloro-2-(3-chlorophenyl)phenyl]pyrrolidine

C16H15Cl2N — CID 46206025

IUPAC3-[5-chloro-2-(3-chlorophenyl)phenyl]pyrrolidine
SMILESClc1cccc(-c2ccc(Cl)cc2C2CCNC2)c1
InChIInChI=1S/C16H15Cl2N/c17-13-3-1-2-11(8-13)15-5-4-14(18)9-16(15)12-6-7-19-10-12/h1-5,8-9,12,19H,6-7,10H2
InChIKeyKMOGJVNCLXUDAA-UHFFFAOYSA-N
MW292.21 g/mol
LogP4.74
Rot. Bonds2

About 3-[5-chloro-2-(3-chlorophenyl)phenyl]pyrrolidine

3-[5-chloro-2-(3-chlorophenyl)phenyl]pyrrolidine (PubChem CID 46206025) has the molecular formula C16H15Cl2N and a molecular weight of 292.21 g/mol. Its IUPAC name is 3-[5-chloro-2-(3-chlorophenyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name3-[5-chloro-2-(3-chlorophenyl)phenyl]pyrrolidine
PubChem CID46206025
Molecular FormulaC16H15Cl2N
Molecular Weight292.21 g/mol
Exact Mass291.06
IUPAC Name3-[5-chloro-2-(3-chlorophenyl)phenyl]pyrrolidine
SMILESClc1cccc(-c2ccc(Cl)cc2C2CCNC2)c1
InChIInChI=1S/C16H15Cl2N/c17-13-3-1-2-11(8-13)15-5-4-14(18)9-16(15)12-6-7-19-10-12/h1-5,8-9,12,19H,6-7,10H2
InChIKeyKMOGJVNCLXUDAA-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-(3-chlorophenyl)phenyl]pyrrolidine?
The IUPAC name of 3-[5-chloro-2-(3-chlorophenyl)phenyl]pyrrolidine (CID 46206025) is 3-[5-chloro-2-(3-chlorophenyl)phenyl]pyrrolidine.
What is the SMILES notation for 3-[5-chloro-2-(3-chlorophenyl)phenyl]pyrrolidine?
The canonical SMILES for 3-[5-chloro-2-(3-chlorophenyl)phenyl]pyrrolidine is Clc1cccc(-c2ccc(Cl)cc2C2CCNC2)c1.
What is the InChIKey of 3-[5-chloro-2-(3-chlorophenyl)phenyl]pyrrolidine?
The InChIKey is KMOGJVNCLXUDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N/c17-13-3-1-2-11(8-13)15-5-4-14(18)9-16(15)12-6-7-19-10-12/h1-5,8-9,12,19H,6-7,10H2.
What are the key properties of 3-[5-chloro-2-(3-chlorophenyl)phenyl]pyrrolidine?
3-[5-chloro-2-(3-chlorophenyl)phenyl]pyrrolidine has a molecular weight of 292.21 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-(3-chlorophenyl)phenyl]pyrrolidine is sourced from PubChem (CID 46206025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).