bis[2-(4-bromophenyl)pyrrolidin-1-yl]methanone

C21H22Br2N2O — CID 175308107

IUPACbis[2-(4-bromophenyl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCCC1c1ccc(Br)cc1)N1CCCC1c1ccc(Br)cc1
InChIInChI=1S/C21H22Br2N2O/c22-17-9-5-15(6-10-17)19-3-1-13-24(19)21(26)25-14-2-4-20(25)16-7-11-18(23)12-8-16/h5-12,19-20H,1-4,13-14H2
InChIKeyYGJZDCAWZYSRHP-UHFFFAOYSA-N
MW478.23 g/mol
LogP6.31
Rot. Bonds2

About bis[2-(4-bromophenyl)pyrrolidin-1-yl]methanone

bis[2-(4-bromophenyl)pyrrolidin-1-yl]methanone (PubChem CID 175308107) has the molecular formula C21H22Br2N2O and a molecular weight of 478.23 g/mol. Its IUPAC name is bis[2-(4-bromophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namebis[2-(4-bromophenyl)pyrrolidin-1-yl]methanone
PubChem CID175308107
Molecular FormulaC21H22Br2N2O
Molecular Weight478.23 g/mol
Exact Mass476.01
IUPAC Namebis[2-(4-bromophenyl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCCC1c1ccc(Br)cc1)N1CCCC1c1ccc(Br)cc1
InChIInChI=1S/C21H22Br2N2O/c22-17-9-5-15(6-10-17)19-3-1-13-24(19)21(26)25-14-2-4-20(25)16-7-11-18(23)12-8-16/h5-12,19-20H,1-4,13-14H2
InChIKeyYGJZDCAWZYSRHP-UHFFFAOYSA-N
XLogP6.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.23
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

tert-butyl (2R)-2-(4-bromophenyl)pyrrolidine-1-carboxylate
CID 67158206
1-[2-(4-bromophenyl)pyrrolidin-1-yl]-2-ethylbutan-1-one
CID 84515128
[2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119299881
1-[2-(4-bromophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 84606143
[2-(4-bromophenyl)pyrrolidin-1-yl]-(5-chloro-2,4-dihydroxyphenyl)methanone
CID 71096055
[2-(4-bromophenyl)pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 47313418
[2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 119299890
1-[2-(4-bromophenyl)pyrrolidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one
CID 47064102
2-(4-bromophenyl)pyrrolidin-1-amine
CID 83542523
7-bromo-4-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
CID 55898140
1-[(2S)-2-(4-bromophenyl)pyrrolidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 94630935
5-bromo-N-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 55955381

Frequently Asked Questions

What is the IUPAC name of bis[2-(4-bromophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of bis[2-(4-bromophenyl)pyrrolidin-1-yl]methanone (CID 175308107) is bis[2-(4-bromophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for bis[2-(4-bromophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for bis[2-(4-bromophenyl)pyrrolidin-1-yl]methanone is O=C(N1CCCC1c1ccc(Br)cc1)N1CCCC1c1ccc(Br)cc1.
What is the InChIKey of bis[2-(4-bromophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is YGJZDCAWZYSRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Br2N2O/c22-17-9-5-15(6-10-17)19-3-1-13-24(19)21(26)25-14-2-4-20(25)16-7-11-18(23)12-8-16/h5-12,19-20H,1-4,13-14H2.
What are the key properties of bis[2-(4-bromophenyl)pyrrolidin-1-yl]methanone?
bis[2-(4-bromophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 478.23 g/mol, XLogP of 6.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(4-bromophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 175308107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).