2-amino-3-(2-bromo-4-methoxyphenoxy)propanamide

C10H13BrN2O3 — CID 104706367

IUPAC2-amino-3-(2-bromo-4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OCC(N)C(N)=O)c(Br)c1
InChIInChI=1S/C10H13BrN2O3/c1-15-6-2-3-9(7(11)4-6)16-5-8(12)10(13)14/h2-4,8H,5,12H2,1H3,(H2,13,14)
InChIKeyKYFUDIMBVLOYSI-UHFFFAOYSA-N
MW289.13 g/mol
LogP0.65
Rot. Bonds5

About 2-amino-3-(2-bromo-4-methoxyphenoxy)propanamide

2-amino-3-(2-bromo-4-methoxyphenoxy)propanamide (PubChem CID 104706367) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 2-amino-3-(2-bromo-4-methoxyphenoxy)propanamide.

Molecular Properties

Compound Name2-amino-3-(2-bromo-4-methoxyphenoxy)propanamide
PubChem CID104706367
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name2-amino-3-(2-bromo-4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OCC(N)C(N)=O)c(Br)c1
InChIInChI=1S/C10H13BrN2O3/c1-15-6-2-3-9(7(11)4-6)16-5-8(12)10(13)14/h2-4,8H,5,12H2,1H3,(H2,13,14)
InChIKeyKYFUDIMBVLOYSI-UHFFFAOYSA-N
XLogP0.65
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-bromo-4-methoxyphenoxy)-2-methylpropan-1-ol
CID 104705248
3-(2-bromo-4-methoxyphenoxy)-2-phenylpropanoic acid
CID 104708587
2-(2-bromo-4-methoxyphenoxy)acetohydrazide
CID 3936634
2-amino-3-(4-methoxy-3-nitrophenoxy)propanamide
CID 103201521
4-(2-bromo-4-methoxyphenoxy)butan-2-one
CID 104708081
3-(2-bromo-4-methoxyphenoxy)propanehydrazide
CID 104708593
2-[(2-bromo-4-methoxyphenoxy)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 104708677
butyl 2-(2-bromo-4-methoxyphenoxy)acetate
CID 113443363
2-(2-bromo-4-methoxyphenoxy)ethanesulfonamide
CID 104708667
3-(2-bromo-4-methoxyphenoxy)-N'-hydroxypropanimidamide
CID 104707785
2-amino-3-(2-bromo-4-methoxyphenyl)propanoic acid
CID 82626061
2-(2-bromo-4-methoxyphenoxy)-3-methoxypropanehydrazide
CID 103229405

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-bromo-4-methoxyphenoxy)propanamide?
The IUPAC name of 2-amino-3-(2-bromo-4-methoxyphenoxy)propanamide (CID 104706367) is 2-amino-3-(2-bromo-4-methoxyphenoxy)propanamide.
What is the SMILES notation for 2-amino-3-(2-bromo-4-methoxyphenoxy)propanamide?
The canonical SMILES for 2-amino-3-(2-bromo-4-methoxyphenoxy)propanamide is COc1ccc(OCC(N)C(N)=O)c(Br)c1.
What is the InChIKey of 2-amino-3-(2-bromo-4-methoxyphenoxy)propanamide?
The InChIKey is KYFUDIMBVLOYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-15-6-2-3-9(7(11)4-6)16-5-8(12)10(13)14/h2-4,8H,5,12H2,1H3,(H2,13,14).
What are the key properties of 2-amino-3-(2-bromo-4-methoxyphenoxy)propanamide?
2-amino-3-(2-bromo-4-methoxyphenoxy)propanamide has a molecular weight of 289.13 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-bromo-4-methoxyphenoxy)propanamide is sourced from PubChem (CID 104706367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).