2-(3-bromophenyl)-1-(2-chlorophenyl)pyrrolidine

C16H15BrClN — CID 84611001

IUPAC2-(3-bromophenyl)-1-(2-chlorophenyl)pyrrolidine
SMILESClc1ccccc1N1CCCC1c1cccc(Br)c1
InChIInChI=1S/C16H15BrClN/c17-13-6-3-5-12(11-13)15-9-4-10-19(15)16-8-2-1-7-14(16)18/h1-3,5-8,11,15H,4,9-10H2
InChIKeyMPPBWQAHLPNDJG-UHFFFAOYSA-N
MW336.66 g/mol
LogP5.44
Rot. Bonds2

About 2-(3-bromophenyl)-1-(2-chlorophenyl)pyrrolidine

2-(3-bromophenyl)-1-(2-chlorophenyl)pyrrolidine (PubChem CID 84611001) has the molecular formula C16H15BrClN and a molecular weight of 336.66 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(2-chlorophenyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(2-chlorophenyl)pyrrolidine
PubChem CID84611001
Molecular FormulaC16H15BrClN
Molecular Weight336.66 g/mol
Exact Mass335.01
IUPAC Name2-(3-bromophenyl)-1-(2-chlorophenyl)pyrrolidine
SMILESClc1ccccc1N1CCCC1c1cccc(Br)c1
InChIInChI=1S/C16H15BrClN/c17-13-6-3-5-12(11-13)15-9-4-10-19(15)16-8-2-1-7-14(16)18/h1-3,5-8,11,15H,4,9-10H2
InChIKeyMPPBWQAHLPNDJG-UHFFFAOYSA-N
XLogP5.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.66
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-1-(3-chlorophenyl)pyrrolidine
CID 84611002
4-[2-(3-bromophenyl)pyrrolidin-1-yl]-2,3,5,6-tetrafluoropyridine
CID 133371579
5-(3-bromophenyl)-1-(2-chlorophenyl)-4,5-dihydroimidazol-2-amine
CID 79504670
[2-chloro-6-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine
CID 62500745
(1R,8S)-1-(3-bromophenyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 101479998
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine
CID 71176112
1-(2-chlorophenyl)-2-methoxypyrrolidine
CID 155142149
2-[2-(4-bromophenyl)pyrrolidin-1-yl]benzonitrile
CID 84608155
8-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 124730441
[2-(3-bromophenyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66484320
[2-(3-bromophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 63007252
2-(3-bromophenyl)-1-(3-chloropropylsulfonyl)pyrrolidine
CID 54877163

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(2-chlorophenyl)pyrrolidine?
The IUPAC name of 2-(3-bromophenyl)-1-(2-chlorophenyl)pyrrolidine (CID 84611001) is 2-(3-bromophenyl)-1-(2-chlorophenyl)pyrrolidine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(2-chlorophenyl)pyrrolidine?
The canonical SMILES for 2-(3-bromophenyl)-1-(2-chlorophenyl)pyrrolidine is Clc1ccccc1N1CCCC1c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-(2-chlorophenyl)pyrrolidine?
The InChIKey is MPPBWQAHLPNDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN/c17-13-6-3-5-12(11-13)15-9-4-10-19(15)16-8-2-1-7-14(16)18/h1-3,5-8,11,15H,4,9-10H2.
What are the key properties of 2-(3-bromophenyl)-1-(2-chlorophenyl)pyrrolidine?
2-(3-bromophenyl)-1-(2-chlorophenyl)pyrrolidine has a molecular weight of 336.66 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(2-chlorophenyl)pyrrolidine is sourced from PubChem (CID 84611001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).