2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethyl)propanamide

C14H13BrClNO3 — CID 47204993

IUPAC2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)NCc1ccoc1
InChIInChI=1S/C14H13BrClNO3/c1-9(14(18)17-7-10-4-5-19-8-10)20-13-3-2-11(16)6-12(13)15/h2-6,8-9H,7H2,1H3,(H,17,18)
InChIKeyMHXYQXNKHATUKJ-UHFFFAOYSA-N
MW358.62 g/mol
LogP3.78
Rot. Bonds5

About 2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethyl)propanamide

2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethyl)propanamide (PubChem CID 47204993) has the molecular formula C14H13BrClNO3 and a molecular weight of 358.62 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethyl)propanamide
PubChem CID47204993
Molecular FormulaC14H13BrClNO3
Molecular Weight358.62 g/mol
Exact Mass356.98
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)NCc1ccoc1
InChIInChI=1S/C14H13BrClNO3/c1-9(14(18)17-7-10-4-5-19-8-10)20-13-3-2-11(16)6-12(13)15/h2-6,8-9H,7H2,1H3,(H,17,18)
InChIKeyMHXYQXNKHATUKJ-UHFFFAOYSA-N
XLogP3.78
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.62
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-(2-bromo-4-chlorophenoxy)propanamide
CID 4981350
2-(2-bromo-4-chlorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 43417581
(2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide
CID 40773106
4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 81065118
2-(2-bromo-4-chlorophenoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 78957043
2-(2-bromo-4-chlorophenoxy)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]propanamide
CID 55664257
2-(2-bromo-4-chlorophenoxy)-N-carbamoylpropanamide
CID 3901807
2-(2-bromo-4-chlorophenoxy)-N-(3-butoxypropyl)propanamide
CID 55542671
2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide
CID 115283555
methyl 2-(2-bromo-4-chlorophenoxy)propanoate
CID 20526233
2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]propanoic acid
CID 43170814
2-(2-bromo-4-chlorophenoxy)propanoyl chloride
CID 88743448

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethyl)propanamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethyl)propanamide (CID 47204993) is 2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethyl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethyl)propanamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethyl)propanamide is CC(Oc1ccc(Cl)cc1Br)C(=O)NCc1ccoc1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethyl)propanamide?
The InChIKey is MHXYQXNKHATUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO3/c1-9(14(18)17-7-10-4-5-19-8-10)20-13-3-2-11(16)6-12(13)15/h2-6,8-9H,7H2,1H3,(H,17,18).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethyl)propanamide?
2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethyl)propanamide has a molecular weight of 358.62 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethyl)propanamide is sourced from PubChem (CID 47204993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).