[5-[(3-bromophenoxy)methyl]furan-2-yl]-(2,2-dimethylmorpholin-4-yl)methanone

C18H20BrNO4 — CID 87001078

IUPAC[5-[(3-bromophenoxy)methyl]furan-2-yl]-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(COc3cccc(Br)c3)o2)CCO1
InChIInChI=1S/C18H20BrNO4/c1-18(2)12-20(8-9-23-18)17(21)16-7-6-15(24-16)11-22-14-5-3-4-13(19)10-14/h3-7,10H,8-9,11-12H2,1-2H3
InChIKeyBKNXRUZUSSEROF-UHFFFAOYSA-N
MW394.27 g/mol
LogP3.87
Rot. Bonds4

About [5-[(3-bromophenoxy)methyl]furan-2-yl]-(2,2-dimethylmorpholin-4-yl)methanone

[5-[(3-bromophenoxy)methyl]furan-2-yl]-(2,2-dimethylmorpholin-4-yl)methanone (PubChem CID 87001078) has the molecular formula C18H20BrNO4 and a molecular weight of 394.27 g/mol. Its IUPAC name is [5-[(3-bromophenoxy)methyl]furan-2-yl]-(2,2-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[5-[(3-bromophenoxy)methyl]furan-2-yl]-(2,2-dimethylmorpholin-4-yl)methanone
PubChem CID87001078
Molecular FormulaC18H20BrNO4
Molecular Weight394.27 g/mol
Exact Mass393.06
IUPAC Name[5-[(3-bromophenoxy)methyl]furan-2-yl]-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(COc3cccc(Br)c3)o2)CCO1
InChIInChI=1S/C18H20BrNO4/c1-18(2)12-20(8-9-23-18)17(21)16-7-6-15(24-16)11-22-14-5-3-4-13(19)10-14/h3-7,10H,8-9,11-12H2,1-2H3
InChIKeyBKNXRUZUSSEROF-UHFFFAOYSA-N
XLogP3.87
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(3-bromophenoxy)methyl]furan-2-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119563369
(4-benzylpiperazin-1-yl)-[5-[(3-bromophenoxy)methyl]furan-2-yl]methanone
CID 46488837
[1-[5-[(3-bromophenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55773113
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[5-[(3-bromophenoxy)methyl]furan-2-yl]methanone
CID 120658923
[2-(aminomethyl)pyrrolidin-1-yl]-[5-[(3-bromophenoxy)methyl]furan-2-yl]methanone;hydrochloride
CID 119634045
4-[4-[5-[(3-bromophenoxy)methyl]furan-2-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55839784
[2-(aminomethyl)piperidin-1-yl]-[5-[(3-bromophenoxy)methyl]furan-2-yl]methanone;hydrochloride
CID 119469178
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone
CID 120805733
5-[(3-bromophenoxy)methyl]-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]furan-2-carboxamide
CID 55777807
5-[(3-bromophenoxy)methyl]-N-(1-methylpyrazol-4-yl)furan-2-carboxamide
CID 60508098
5-[(3-bromophenoxy)methyl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)furan-2-carboxamide
CID 46489072
N-(1-amino-2-cyclopropylpropan-2-yl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide
CID 119575372

Frequently Asked Questions

What is the IUPAC name of [5-[(3-bromophenoxy)methyl]furan-2-yl]-(2,2-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [5-[(3-bromophenoxy)methyl]furan-2-yl]-(2,2-dimethylmorpholin-4-yl)methanone (CID 87001078) is [5-[(3-bromophenoxy)methyl]furan-2-yl]-(2,2-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [5-[(3-bromophenoxy)methyl]furan-2-yl]-(2,2-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [5-[(3-bromophenoxy)methyl]furan-2-yl]-(2,2-dimethylmorpholin-4-yl)methanone is CC1(C)CN(C(=O)c2ccc(COc3cccc(Br)c3)o2)CCO1.
What is the InChIKey of [5-[(3-bromophenoxy)methyl]furan-2-yl]-(2,2-dimethylmorpholin-4-yl)methanone?
The InChIKey is BKNXRUZUSSEROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO4/c1-18(2)12-20(8-9-23-18)17(21)16-7-6-15(24-16)11-22-14-5-3-4-13(19)10-14/h3-7,10H,8-9,11-12H2,1-2H3.
What are the key properties of [5-[(3-bromophenoxy)methyl]furan-2-yl]-(2,2-dimethylmorpholin-4-yl)methanone?
[5-[(3-bromophenoxy)methyl]furan-2-yl]-(2,2-dimethylmorpholin-4-yl)methanone has a molecular weight of 394.27 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-bromophenoxy)methyl]furan-2-yl]-(2,2-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 87001078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).