2-(2-amino-4-bromo-5-fluorophenoxy)propanamide

C9H10BrFN2O2 — CID 103483009

IUPAC2-(2-amino-4-bromo-5-fluorophenoxy)propanamide
SMILESCC(Oc1cc(F)c(Br)cc1N)C(N)=O
InChIInChI=1S/C9H10BrFN2O2/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12/h2-4H,12H2,1H3,(H2,13,14)
InChIKeyUSZMFSXNZZHAFS-UHFFFAOYSA-N
MW277.09 g/mol
LogP1.42
Rot. Bonds3

About 2-(2-amino-4-bromo-5-fluorophenoxy)propanamide

2-(2-amino-4-bromo-5-fluorophenoxy)propanamide (PubChem CID 103483009) has the molecular formula C9H10BrFN2O2 and a molecular weight of 277.09 g/mol. Its IUPAC name is 2-(2-amino-4-bromo-5-fluorophenoxy)propanamide.

Molecular Properties

Compound Name2-(2-amino-4-bromo-5-fluorophenoxy)propanamide
PubChem CID103483009
Molecular FormulaC9H10BrFN2O2
Molecular Weight277.09 g/mol
Exact Mass275.99
IUPAC Name2-(2-amino-4-bromo-5-fluorophenoxy)propanamide
SMILESCC(Oc1cc(F)c(Br)cc1N)C(N)=O
InChIInChI=1S/C9H10BrFN2O2/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12/h2-4H,12H2,1H3,(H2,13,14)
InChIKeyUSZMFSXNZZHAFS-UHFFFAOYSA-N
XLogP1.42
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-fluoro-2-propan-2-yloxyaniline
CID 66111938
5-bromo-4-fluoro-2-(4-methylpentan-2-yloxy)aniline
CID 66111940
2-(4-amino-2-fluorophenoxy)propanamide
CID 43259260
2-(2-amino-4-bromophenoxy)propanamide
CID 65429423
(2S)-2-(4-bromo-2-fluorophenoxy)propanamide
CID 2522971
2-(5-bromo-2-fluorophenoxy)propanamide
CID 115918546
5-bromo-4-fluoro-2-pentan-3-yloxyaniline
CID 103482882
2-(4-amino-2,5-dimethylphenoxy)propanamide
CID 63181130
2-(2,5-difluorophenoxy)propanamide
CID 63269491
2-(2,3-difluorophenoxy)propanamide
CID 63038540
(2S)-2-(4-bromo-2-cyclopropyl-5-fluorophenoxy)propanoic acid
CID 138687143
2-[4-(aminomethyl)-2-fluorophenoxy]propanamide
CID 107665477

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromo-5-fluorophenoxy)propanamide?
The IUPAC name of 2-(2-amino-4-bromo-5-fluorophenoxy)propanamide (CID 103483009) is 2-(2-amino-4-bromo-5-fluorophenoxy)propanamide.
What is the SMILES notation for 2-(2-amino-4-bromo-5-fluorophenoxy)propanamide?
The canonical SMILES for 2-(2-amino-4-bromo-5-fluorophenoxy)propanamide is CC(Oc1cc(F)c(Br)cc1N)C(N)=O.
What is the InChIKey of 2-(2-amino-4-bromo-5-fluorophenoxy)propanamide?
The InChIKey is USZMFSXNZZHAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFN2O2/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12/h2-4H,12H2,1H3,(H2,13,14).
What are the key properties of 2-(2-amino-4-bromo-5-fluorophenoxy)propanamide?
2-(2-amino-4-bromo-5-fluorophenoxy)propanamide has a molecular weight of 277.09 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-bromo-5-fluorophenoxy)propanamide is sourced from PubChem (CID 103483009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).