2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide

C13H17BrClNO3 — CID 115283555

IUPAC2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide
SMILESCC(CCO)NC(=O)C(C)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C13H17BrClNO3/c1-8(5-6-17)16-13(18)9(2)19-12-4-3-10(15)7-11(12)14/h3-4,7-9,17H,5-6H2,1-2H3,(H,16,18)
InChIKeyHUYLLHYFUOBGCS-UHFFFAOYSA-N
MW350.64 g/mol
LogP2.76
Rot. Bonds6

About 2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide

2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide (PubChem CID 115283555) has the molecular formula C13H17BrClNO3 and a molecular weight of 350.64 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide
PubChem CID115283555
Molecular FormulaC13H17BrClNO3
Molecular Weight350.64 g/mol
Exact Mass349.01
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide
SMILESCC(CCO)NC(=O)C(C)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C13H17BrClNO3/c1-8(5-6-17)16-13(18)9(2)19-12-4-3-10(15)7-11(12)14/h3-4,7-9,17H,5-6H2,1-2H3,(H,16,18)
InChIKeyHUYLLHYFUOBGCS-UHFFFAOYSA-N
XLogP2.76
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.64
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide
CID 81047647
(2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide
CID 40773106
2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]propanoic acid
CID 43170814
2-(2-bromo-4-chlorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 43417581
methyl 2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]propanoate
CID 60727143
2-(2-bromo-4-chlorophenoxy)-N-carbamoylpropanamide
CID 3901807
2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-4-ethylsulfonylbutanoic acid
CID 108755226
4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 81065118
2-(2-bromo-4-chlorophenoxy)-N-[4-(propanoylamino)phenyl]propanamide
CID 17204918
methyl 2-(2-bromo-4-chlorophenoxy)propanoate
CID 20526233
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 2169643
N-butan-2-yl-2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide
CID 43324858

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide (CID 115283555) is 2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide is CC(CCO)NC(=O)C(C)Oc1ccc(Cl)cc1Br.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide?
The InChIKey is HUYLLHYFUOBGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO3/c1-8(5-6-17)16-13(18)9(2)19-12-4-3-10(15)7-11(12)14/h3-4,7-9,17H,5-6H2,1-2H3,(H,16,18).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide?
2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide has a molecular weight of 350.64 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide is sourced from PubChem (CID 115283555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).