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

C16H15BrClN — CID 84611002

IUPAC2-(3-bromophenyl)-1-(3-chlorophenyl)pyrrolidine
SMILESClc1cccc(N2CCCC2c2cccc(Br)c2)c1
InChIInChI=1S/C16H15BrClN/c17-13-5-1-4-12(10-13)16-8-3-9-19(16)15-7-2-6-14(18)11-15/h1-2,4-7,10-11,16H,3,8-9H2
InChIKeyWDWZOGPMMAIYCF-UHFFFAOYSA-N
MW336.66 g/mol
LogP5.44
Rot. Bonds2

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

2-(3-bromophenyl)-1-(3-chlorophenyl)pyrrolidine (PubChem CID 84611002) has the molecular formula C16H15BrClN and a molecular weight of 336.66 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(3-chlorophenyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(3-chlorophenyl)pyrrolidine
PubChem CID84611002
Molecular FormulaC16H15BrClN
Molecular Weight336.66 g/mol
Exact Mass335.01
IUPAC Name2-(3-bromophenyl)-1-(3-chlorophenyl)pyrrolidine
SMILESClc1cccc(N2CCCC2c2cccc(Br)c2)c1
InChIInChI=1S/C16H15BrClN/c17-13-5-1-4-12(10-13)16-8-3-9-19(16)15-7-2-6-14(18)11-15/h1-2,4-7,10-11,16H,3,8-9H2
InChIKeyWDWZOGPMMAIYCF-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-(2-chlorophenyl)pyrrolidine
CID 84611001
(3R,7aS)-3-(3-bromophenyl)-2-(3-chlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 71686270
2-(3-bromophenyl)-1-(3-chlorophenyl)imidazolidine
CID 100951353
4-[2-(3-bromophenyl)pyrrolidin-1-yl]-2,3,5,6-tetrafluoropyridine
CID 133371579
5-(3-bromophenyl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine
CID 79505730
(1R,8S)-1-(3-bromophenyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 101479998
2-(3-cyclopropylphenyl)-1-(3-methylphenyl)pyrrolidine
CID 134300269
1,2-diphenylpyrrolidine;hydrochloride
CID 23512926
tert-butyl (2R)-2-(3-bromophenyl)pyrrolidine-1-carboxylate
CID 86332501
2-(3-bromophenyl)-1-(3-chloropropylsulfonyl)pyrrolidine
CID 54877163
(2R)-1-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)pyrrolidine
CID 71091289
(2R)-1-tert-butyl-2-(3-chlorophenyl)pyrrolidine
CID 157382871

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(3-chlorophenyl)pyrrolidine?
The IUPAC name of 2-(3-bromophenyl)-1-(3-chlorophenyl)pyrrolidine (CID 84611002) is 2-(3-bromophenyl)-1-(3-chlorophenyl)pyrrolidine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(3-chlorophenyl)pyrrolidine?
The canonical SMILES for 2-(3-bromophenyl)-1-(3-chlorophenyl)pyrrolidine is Clc1cccc(N2CCCC2c2cccc(Br)c2)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-(3-chlorophenyl)pyrrolidine?
The InChIKey is WDWZOGPMMAIYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN/c17-13-5-1-4-12(10-13)16-8-3-9-19(16)15-7-2-6-14(18)11-15/h1-2,4-7,10-11,16H,3,8-9H2.
What are the key properties of 2-(3-bromophenyl)-1-(3-chlorophenyl)pyrrolidine?
2-(3-bromophenyl)-1-(3-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-(3-chlorophenyl)pyrrolidine is sourced from PubChem (CID 84611002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).