(2R)-2-[4-(4-bromophenyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one

C19H20BrNO2 — CID 8587224

IUPAC(2R)-2-[4-(4-bromophenyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
SMILESC[C@@H](Oc1ccc(-c2ccc(Br)cc2)cc1)C(=O)N1CCCC1
InChIInChI=1S/C19H20BrNO2/c1-14(19(22)21-12-2-3-13-21)23-18-10-6-16(7-11-18)15-4-8-17(20)9-5-15/h4-11,14H,2-3,12-13H2,1H3/t14-/m1/s1
InChIKeyCRSKYJHIGTUGOY-CQSZACIVSA-N
MW374.28 g/mol
LogP4.51
Rot. Bonds4

About (2R)-2-[4-(4-bromophenyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one

(2R)-2-[4-(4-bromophenyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 8587224) has the molecular formula C19H20BrNO2 and a molecular weight of 374.28 g/mol. Its IUPAC name is (2R)-2-[4-(4-bromophenyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-[4-(4-bromophenyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID8587224
Molecular FormulaC19H20BrNO2
Molecular Weight374.28 g/mol
Exact Mass373.07
IUPAC Name(2R)-2-[4-(4-bromophenyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
SMILESC[C@@H](Oc1ccc(-c2ccc(Br)cc2)cc1)C(=O)N1CCCC1
InChIInChI=1S/C19H20BrNO2/c1-14(19(22)21-12-2-3-13-21)23-18-10-6-16(7-11-18)15-4-8-17(20)9-5-15/h4-11,14H,2-3,12-13H2,1H3/t14-/m1/s1
InChIKeyCRSKYJHIGTUGOY-CQSZACIVSA-N
XLogP4.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 94299244
2-(4-bromophenoxy)-1-(1,4-diazepan-1-yl)propan-1-one
CID 119418410
(2R)-2-(6-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one
CID 7916276
2-(4-phenylphenoxy)-1-[4-[2-(4-phenylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981282
2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 43143333
2-(4-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43391848
4-[4-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]oxyphenyl]benzonitrile
CID 41310830
(2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 95358331
2-(4-bromophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one
CID 80707640
2-(4-bromophenoxy)-1-(3-hydroxyazetidin-1-yl)propan-1-one
CID 63106235
2-(4-bromo-3-methylphenoxy)-1-piperidin-1-ylpropan-1-one
CID 83133278
2-(4-hydroxyphenoxy)-1-[4-[2-(4-hydroxyphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 108545473

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(4-bromophenyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2R)-2-[4-(4-bromophenyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one (CID 8587224) is (2R)-2-[4-(4-bromophenyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-2-[4-(4-bromophenyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-2-[4-(4-bromophenyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one is C[C@@H](Oc1ccc(-c2ccc(Br)cc2)cc1)C(=O)N1CCCC1.
What is the InChIKey of (2R)-2-[4-(4-bromophenyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is CRSKYJHIGTUGOY-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20BrNO2/c1-14(19(22)21-12-2-3-13-21)23-18-10-6-16(7-11-18)15-4-8-17(20)9-5-15/h4-11,14H,2-3,12-13H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-2-[4-(4-bromophenyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one?
(2R)-2-[4-(4-bromophenyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 374.28 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(4-bromophenyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 8587224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).