(2R)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone

C18H17BrClNO2 — CID 7700719

IUPAC(2R)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone
SMILESO=C([C@H](Oc1ccc(Br)cc1Cl)c1ccccc1)N1CCCC1
InChIInChI=1S/C18H17BrClNO2/c19-14-8-9-16(15(20)12-14)23-17(13-6-2-1-3-7-13)18(22)21-10-4-5-11-21/h1-3,6-9,12,17H,4-5,10-11H2/t17-/m1/s1
InChIKeyMGIIUPANEPHSEK-QGZVFWFLSA-N
MW394.70 g/mol
LogP4.84
Rot. Bonds4

About (2R)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone

(2R)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone (PubChem CID 7700719) has the molecular formula C18H17BrClNO2 and a molecular weight of 394.70 g/mol. Its IUPAC name is (2R)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name(2R)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone
PubChem CID7700719
Molecular FormulaC18H17BrClNO2
Molecular Weight394.70 g/mol
Exact Mass393.01
IUPAC Name(2R)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone
SMILESO=C([C@H](Oc1ccc(Br)cc1Cl)c1ccccc1)N1CCCC1
InChIInChI=1S/C18H17BrClNO2/c19-14-8-9-16(15(20)12-14)23-17(13-6-2-1-3-7-13)18(22)21-10-4-5-11-21/h1-3,6-9,12,17H,4-5,10-11H2/t17-/m1/s1
InChIKeyMGIIUPANEPHSEK-QGZVFWFLSA-N
XLogP4.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.70
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-piperidin-1-ylethanone
CID 7700726
(2S)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-piperidin-1-ylethanone
CID 7700724
(2R)-1-morpholin-4-yl-2-phenyl-2-(2,4,5-trichlorophenoxy)ethanone
CID 7701309
(2R)-2-(2-bromo-4-chlorophenoxy)-1-morpholin-4-yl-2-phenylethanone
CID 7706069
2-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethoxy]benzamide
CID 8001851
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
(2S)-2-naphthalen-1-yloxy-2-phenyl-1-piperidin-1-ylethanone
CID 7697331
(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-bromo-2-chlorophenoxy)propan-1-one
CID 26542842
(2S)-2-(2-nitrophenoxy)-2-phenyl-1-piperidin-1-ylethanone
CID 7697246
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2,5-dichlorobenzoate
CID 7699428
(2S)-2-(4-bromo-2-chlorophenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 2409125
(2S)-2-(2,4-dichlorophenoxy)-2-phenylacetic acid
CID 42233563

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of (2R)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone (CID 7700719) is (2R)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for (2R)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for (2R)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone is O=C([C@H](Oc1ccc(Br)cc1Cl)c1ccccc1)N1CCCC1.
What is the InChIKey of (2R)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone?
The InChIKey is MGIIUPANEPHSEK-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H17BrClNO2/c19-14-8-9-16(15(20)12-14)23-17(13-6-2-1-3-7-13)18(22)21-10-4-5-11-21/h1-3,6-9,12,17H,4-5,10-11H2/t17-/m1/s1.
What are the key properties of (2R)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone?
(2R)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone has a molecular weight of 394.70 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 7700719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).