2-(2-bromo-4-chlorophenoxy)-N-(3-hydroxypropyl)propanamide

C12H15BrClNO3 — CID 43417581

IUPAC2-(2-bromo-4-chlorophenoxy)-N-(3-hydroxypropyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)NCCCO
InChIInChI=1S/C12H15BrClNO3/c1-8(12(17)15-5-2-6-16)18-11-4-3-9(14)7-10(11)13/h3-4,7-8,16H,2,5-6H2,1H3,(H,15,17)
InChIKeyYJLMDDRAQOCPBP-UHFFFAOYSA-N
MW336.61 g/mol
LogP2.37
Rot. Bonds6

About 2-(2-bromo-4-chlorophenoxy)-N-(3-hydroxypropyl)propanamide

2-(2-bromo-4-chlorophenoxy)-N-(3-hydroxypropyl)propanamide (PubChem CID 43417581) has the molecular formula C12H15BrClNO3 and a molecular weight of 336.61 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-(3-hydroxypropyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-(3-hydroxypropyl)propanamide
PubChem CID43417581
Molecular FormulaC12H15BrClNO3
Molecular Weight336.61 g/mol
Exact Mass334.99
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-(3-hydroxypropyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)NCCCO
InChIInChI=1S/C12H15BrClNO3/c1-8(12(17)15-5-2-6-16)18-11-4-3-9(14)7-10(11)13/h3-4,7-8,16H,2,5-6H2,1H3,(H,15,17)
InChIKeyYJLMDDRAQOCPBP-UHFFFAOYSA-N
XLogP2.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.61
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N-(3-hydroxypropyl)propanamide
CID 78888648
2-(2-bromo-4-chlorophenoxy)-N-(3-butoxypropyl)propanamide
CID 55542671
2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide
CID 115283555
2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]propanoic acid
CID 43170814
N-benzyl-2-(2-bromo-4-chlorophenoxy)propanamide
CID 4981350
(2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide
CID 40773106
4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 81065118
methyl 2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]propanoate
CID 60727143
2-(2-bromo-4-chlorophenoxy)-N-carbamoylpropanamide
CID 3901807
methyl 2-(2-bromo-4-chlorophenoxy)propanoate
CID 20526233
2-(2-bromo-4-chlorophenoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 78957043
2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethyl)propanamide
CID 47204993

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(3-hydroxypropyl)propanamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(3-hydroxypropyl)propanamide (CID 43417581) is 2-(2-bromo-4-chlorophenoxy)-N-(3-hydroxypropyl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-(3-hydroxypropyl)propanamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-(3-hydroxypropyl)propanamide is CC(Oc1ccc(Cl)cc1Br)C(=O)NCCCO.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-(3-hydroxypropyl)propanamide?
The InChIKey is YJLMDDRAQOCPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO3/c1-8(12(17)15-5-2-6-16)18-11-4-3-9(14)7-10(11)13/h3-4,7-8,16H,2,5-6H2,1H3,(H,15,17).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-(3-hydroxypropyl)propanamide?
2-(2-bromo-4-chlorophenoxy)-N-(3-hydroxypropyl)propanamide has a molecular weight of 336.61 g/mol, XLogP of 2.37, 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-(3-hydroxypropyl)propanamide is sourced from PubChem (CID 43417581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).