2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)propanamide

C15H16BrNO4 — CID 104707302

IUPAC2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)propanamide
SMILESCOc1ccc(OC(C)C(=O)NCc2ccco2)c(Br)c1
InChIInChI=1S/C15H16BrNO4/c1-10(15(18)17-9-12-4-3-7-20-12)21-14-6-5-11(19-2)8-13(14)16/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKeyZXYJAMBCIKSSHW-UHFFFAOYSA-N
MW354.20 g/mol
LogP3.13
Rot. Bonds6

About 2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)propanamide

2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)propanamide (PubChem CID 104707302) has the molecular formula C15H16BrNO4 and a molecular weight of 354.20 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)propanamide
PubChem CID104707302
Molecular FormulaC15H16BrNO4
Molecular Weight354.20 g/mol
Exact Mass353.03
IUPAC Name2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)propanamide
SMILESCOc1ccc(OC(C)C(=O)NCc2ccco2)c(Br)c1
InChIInChI=1S/C15H16BrNO4/c1-10(15(18)17-9-12-4-3-7-20-12)21-14-6-5-11(19-2)8-13(14)16/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKeyZXYJAMBCIKSSHW-UHFFFAOYSA-N
XLogP3.13
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-(3-methoxyphenoxy)propanamide
CID 19203901
2-(2-bromophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 17173386
2-(4-bromo-2-chlorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 2970667
2-(2-bromo-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
CID 104707490
2-(2-bromo-4-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 47047009
(2S)-2-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 26909573
(2R)-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 973402
N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)phenoxy]propanamide
CID 43503670
2-[5-(aminomethyl)-2-methylphenoxy]-N-(furan-2-ylmethyl)propanamide
CID 107655743
(2S)-2-(2-acetamidophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 9116644
3-bromo-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 935458
2-(2-amino-5-chlorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 62304320

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)propanamide (CID 104707302) is 2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)propanamide is COc1ccc(OC(C)C(=O)NCc2ccco2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is ZXYJAMBCIKSSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO4/c1-10(15(18)17-9-12-4-3-7-20-12)21-14-6-5-11(19-2)8-13(14)16/h3-8,10H,9H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)propanamide?
2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 354.20 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 104707302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).