(2S)-2-(4-bromo-2-fluorophenoxy)propanamide

C9H9BrFNO2 — CID 2522971

IUPAC(2S)-2-(4-bromo-2-fluorophenoxy)propanamide
SMILESC[C@H](Oc1ccc(Br)cc1F)C(N)=O
InChIInChI=1S/C9H9BrFNO2/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H2,12,13)/t5-/m0/s1
InChIKeySALALGLYPZFTQK-YFKPBYRVSA-N
MW262.08 g/mol
LogP1.84
Rot. Bonds3

About (2S)-2-(4-bromo-2-fluorophenoxy)propanamide

(2S)-2-(4-bromo-2-fluorophenoxy)propanamide (PubChem CID 2522971) has the molecular formula C9H9BrFNO2 and a molecular weight of 262.08 g/mol. Its IUPAC name is (2S)-2-(4-bromo-2-fluorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-bromo-2-fluorophenoxy)propanamide
PubChem CID2522971
Molecular FormulaC9H9BrFNO2
Molecular Weight262.08 g/mol
Exact Mass260.98
IUPAC Name(2S)-2-(4-bromo-2-fluorophenoxy)propanamide
SMILESC[C@H](Oc1ccc(Br)cc1F)C(N)=O
InChIInChI=1S/C9H9BrFNO2/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H2,12,13)/t5-/m0/s1
InChIKeySALALGLYPZFTQK-YFKPBYRVSA-N
XLogP1.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.08
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenoxy)propanamide
CID 115918546
2-(4-amino-2-fluorophenoxy)propanamide
CID 43259260
2-(2-amino-4-bromophenoxy)propanamide
CID 65429423
tert-butyl 2-(4-bromo-2-fluorophenoxy)propanoate
CID 66336995
2-(4-bromo-2-fluorophenoxy)-1-(4-bromophenyl)propan-1-one
CID 60626928
2-[4-(aminomethyl)-2-fluorophenoxy]propanamide
CID 107665477
2-[4-(2-aminoethyl)-2-fluorophenoxy]propanamide
CID 107692552
2-(2-fluoro-4-nitrophenoxy)propanamide
CID 61034848
2-(4-bromo-2-fluorophenoxy)-1-(4-ethylphenyl)propan-1-one
CID 60626925
(E)-3-[2-(1-amino-1-oxopropan-2-yl)oxy-5-bromophenyl]prop-2-enoic acid
CID 43147751
2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]propanamide
CID 43277599
2-(2,5-difluorophenoxy)propanamide
CID 63269491

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromo-2-fluorophenoxy)propanamide?
The IUPAC name of (2S)-2-(4-bromo-2-fluorophenoxy)propanamide (CID 2522971) is (2S)-2-(4-bromo-2-fluorophenoxy)propanamide.
What is the SMILES notation for (2S)-2-(4-bromo-2-fluorophenoxy)propanamide?
The canonical SMILES for (2S)-2-(4-bromo-2-fluorophenoxy)propanamide is C[C@H](Oc1ccc(Br)cc1F)C(N)=O.
What is the InChIKey of (2S)-2-(4-bromo-2-fluorophenoxy)propanamide?
The InChIKey is SALALGLYPZFTQK-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H9BrFNO2/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H2,12,13)/t5-/m0/s1.
What are the key properties of (2S)-2-(4-bromo-2-fluorophenoxy)propanamide?
(2S)-2-(4-bromo-2-fluorophenoxy)propanamide has a molecular weight of 262.08 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromo-2-fluorophenoxy)propanamide is sourced from PubChem (CID 2522971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).