(3,5-dibromophenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone

C14H17Br2NO2 — CID 103932935

IUPAC(3,5-dibromophenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc(Br)cc(Br)c1)N1CCCC1CCCO
InChIInChI=1S/C14H17Br2NO2/c15-11-7-10(8-12(16)9-11)14(19)17-5-1-3-13(17)4-2-6-18/h7-9,13,18H,1-6H2
InChIKeyGQZJFUIKYYUHAB-UHFFFAOYSA-N
MW391.10 g/mol
LogP3.59
Rot. Bonds4

About (3,5-dibromophenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone

(3,5-dibromophenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone (PubChem CID 103932935) has the molecular formula C14H17Br2NO2 and a molecular weight of 391.10 g/mol. Its IUPAC name is (3,5-dibromophenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dibromophenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
PubChem CID103932935
Molecular FormulaC14H17Br2NO2
Molecular Weight391.10 g/mol
Exact Mass388.96
IUPAC Name(3,5-dibromophenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc(Br)cc(Br)c1)N1CCCC1CCCO
InChIInChI=1S/C14H17Br2NO2/c15-11-7-10(8-12(16)9-11)14(19)17-5-1-3-13(17)4-2-6-18/h7-9,13,18H,1-6H2
InChIKeyGQZJFUIKYYUHAB-UHFFFAOYSA-N
XLogP3.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.10
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dibromophenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 103909408
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 63186797
[2-(chloromethyl)pyrrolidin-1-yl]-(3,5-dibromophenyl)methanone
CID 107974810
(2-bromo-4-pyridinyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 103933017
(3-bromo-4-fluorophenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 113354392
[2-(bromomethyl)piperidin-1-yl]-(3,5-dibromophenyl)methanone
CID 114022943
furan-3-yl-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62468240
[2-(bromomethyl)azepan-1-yl]-(3,5-dibromophenyl)methanone
CID 114022996
(4-amino-3-hydroxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 107075139
(2-bromo-4-chlorophenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 103932949
2,3-dihydro-1,4-benzodioxin-6-yl-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62468235
(3-bromo-5-fluorophenyl)-[2-(bromomethyl)pyrrolidin-1-yl]methanone
CID 80678250

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3,5-dibromophenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone (CID 103932935) is (3,5-dibromophenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,5-dibromophenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3,5-dibromophenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone is O=C(c1cc(Br)cc(Br)c1)N1CCCC1CCCO.
What is the InChIKey of (3,5-dibromophenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The InChIKey is GQZJFUIKYYUHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2NO2/c15-11-7-10(8-12(16)9-11)14(19)17-5-1-3-13(17)4-2-6-18/h7-9,13,18H,1-6H2.
What are the key properties of (3,5-dibromophenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
(3,5-dibromophenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone has a molecular weight of 391.10 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 103932935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).