2-[4-bromo-2-[(furan-2-ylmethylamino)methyl]phenoxy]acetamide

C14H15BrN2O3 — CID 6472928

IUPAC2-[4-bromo-2-[(furan-2-ylmethylamino)methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(Br)cc1CNCc1ccco1
InChIInChI=1S/C14H15BrN2O3/c15-11-3-4-13(20-9-14(16)18)10(6-11)7-17-8-12-2-1-5-19-12/h1-6,17H,7-9H2,(H2,16,18)
InChIKeyNTFGMCBWOQESPG-UHFFFAOYSA-N
MW339.19 g/mol
LogP2.20
Rot. Bonds7

About 2-[4-bromo-2-[(furan-2-ylmethylamino)methyl]phenoxy]acetamide

2-[4-bromo-2-[(furan-2-ylmethylamino)methyl]phenoxy]acetamide (PubChem CID 6472928) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is 2-[4-bromo-2-[(furan-2-ylmethylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-bromo-2-[(furan-2-ylmethylamino)methyl]phenoxy]acetamide
PubChem CID6472928
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name2-[4-bromo-2-[(furan-2-ylmethylamino)methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(Br)cc1CNCc1ccco1
InChIInChI=1S/C14H15BrN2O3/c15-11-3-4-13(20-9-14(16)18)10(6-11)7-17-8-12-2-1-5-19-12/h1-6,17H,7-9H2,(H2,16,18)
InChIKeyNTFGMCBWOQESPG-UHFFFAOYSA-N
XLogP2.20
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-bromo-2-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17053780
2-[4-bromo-2-[(2-hydroxypropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053771
2-[4-bromo-2-[(hexylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053783
2-[4-bromo-2-[[2-(diethylamino)ethylamino]methyl]phenoxy]acetamide
CID 17053825
2-[4-bromo-2-[(4-methylpentylamino)methyl]phenoxy]acetamide;hydrochloride
CID 90484137
2-[4-bromo-2-[(3-ethoxypropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053775
1-(4-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)methanamine
CID 60984036
2-(2,4-dibromophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2632700
2-(4-bromo-2-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 7721428
2-[4-bromo-2-[[2-(4-sulfamoylphenyl)ethylamino]methyl]phenoxy]acetamide
CID 17053803
2-[5-bromo-4-[(furan-2-ylmethylamino)methyl]-2-methoxyphenoxy]-N-tert-butylacetamide
CID 66535022
3-[4-bromo-2-(propylaminomethyl)phenoxy]propanamide
CID 43277541

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-[(furan-2-ylmethylamino)methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-bromo-2-[(furan-2-ylmethylamino)methyl]phenoxy]acetamide (CID 6472928) is 2-[4-bromo-2-[(furan-2-ylmethylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-bromo-2-[(furan-2-ylmethylamino)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-bromo-2-[(furan-2-ylmethylamino)methyl]phenoxy]acetamide is NC(=O)COc1ccc(Br)cc1CNCc1ccco1.
What is the InChIKey of 2-[4-bromo-2-[(furan-2-ylmethylamino)methyl]phenoxy]acetamide?
The InChIKey is NTFGMCBWOQESPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c15-11-3-4-13(20-9-14(16)18)10(6-11)7-17-8-12-2-1-5-19-12/h1-6,17H,7-9H2,(H2,16,18).
What are the key properties of 2-[4-bromo-2-[(furan-2-ylmethylamino)methyl]phenoxy]acetamide?
2-[4-bromo-2-[(furan-2-ylmethylamino)methyl]phenoxy]acetamide has a molecular weight of 339.19 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-[(furan-2-ylmethylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 6472928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).