2-(4-bromo-3-methylphenoxy)propanamide

C10H12BrNO2 — CID 81302434

IUPAC2-(4-bromo-3-methylphenoxy)propanamide
SMILESCc1cc(OC(C)C(N)=O)ccc1Br
InChIInChI=1S/C10H12BrNO2/c1-6-5-8(3-4-9(6)11)14-7(2)10(12)13/h3-5,7H,1-2H3,(H2,12,13)
InChIKeyRZFDISPBEHCQMB-UHFFFAOYSA-N
MW258.12 g/mol
LogP2.01
Rot. Bonds3

About 2-(4-bromo-3-methylphenoxy)propanamide

2-(4-bromo-3-methylphenoxy)propanamide (PubChem CID 81302434) has the molecular formula C10H12BrNO2 and a molecular weight of 258.12 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)propanamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)propanamide
PubChem CID81302434
Molecular FormulaC10H12BrNO2
Molecular Weight258.12 g/mol
Exact Mass257.01
IUPAC Name2-(4-bromo-3-methylphenoxy)propanamide
SMILESCc1cc(OC(C)C(N)=O)ccc1Br
InChIInChI=1S/C10H12BrNO2/c1-6-5-8(3-4-9(6)11)14-7(2)10(12)13/h3-5,7H,1-2H3,(H2,12,13)
InChIKeyRZFDISPBEHCQMB-UHFFFAOYSA-N
XLogP2.01
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 47095242
2-(3-methyl-4-sulfamoylphenoxy)propanamide
CID 82915497
2-(4-bromo-3-formylphenoxy)propanamide
CID 81494404
(2R)-2-(4-bromophenoxy)propanamide
CID 974910
2-(4-bromo-3-methylphenoxy)-1-piperidin-1-ylpropan-1-one
CID 83133278
2-(4-bromo-3-methylphenoxy)-1-(2,4-difluorophenyl)propan-1-one
CID 83136274
(2S)-N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 9173242
(2S)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 40771290
2-(4-bromo-3-methylphenoxy)-2-phenylacetic acid
CID 20994318
2-(4-bromo-3-methylphenoxy)-N-cyclohexylpropanamide
CID 83133628
(2R)-2-(4-hydroxyphenoxy)propanamide
CID 67641252
2-(3-bromo-4-methylphenoxy)propanoic acid
CID 131031677

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)propanamide?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)propanamide (CID 81302434) is 2-(4-bromo-3-methylphenoxy)propanamide.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)propanamide?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)propanamide is Cc1cc(OC(C)C(N)=O)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)propanamide?
The InChIKey is RZFDISPBEHCQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-6-5-8(3-4-9(6)11)14-7(2)10(12)13/h3-5,7H,1-2H3,(H2,12,13).
What are the key properties of 2-(4-bromo-3-methylphenoxy)propanamide?
2-(4-bromo-3-methylphenoxy)propanamide has a molecular weight of 258.12 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenoxy)propanamide is sourced from PubChem (CID 81302434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).