2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methylbutan-2-yl)acetamide

C14H19BrClNO2 — CID 4813283

IUPAC2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methylbutan-2-yl)acetamide
SMILESCc1cc(Br)cc(Cl)c1OCC(=O)NC(C)C(C)C
InChIInChI=1S/C14H19BrClNO2/c1-8(2)10(4)17-13(18)7-19-14-9(3)5-11(15)6-12(14)16/h5-6,8,10H,7H2,1-4H3,(H,17,18)
InChIKeyICKYNPUJMXMQEA-UHFFFAOYSA-N
MW348.67 g/mol
LogP3.95
Rot. Bonds5

About 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methylbutan-2-yl)acetamide

2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 4813283) has the molecular formula C14H19BrClNO2 and a molecular weight of 348.67 g/mol. Its IUPAC name is 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methylbutan-2-yl)acetamide
PubChem CID4813283
Molecular FormulaC14H19BrClNO2
Molecular Weight348.67 g/mol
Exact Mass347.03
IUPAC Name2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methylbutan-2-yl)acetamide
SMILESCc1cc(Br)cc(Cl)c1OCC(=O)NC(C)C(C)C
InChIInChI=1S/C14H19BrClNO2/c1-8(2)10(4)17-13(18)7-19-14-9(3)5-11(15)6-12(14)16/h5-6,8,10H,7H2,1-4H3,(H,17,18)
InChIKeyICKYNPUJMXMQEA-UHFFFAOYSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.67
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylbutan-2-yl)-2-(2,4,6-tribromophenoxy)acetamide
CID 42977194
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 9480027
2-(4-bromo-2-chloro-6-methylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 17435811
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7233561
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
CID 98683871
2-(4-formyl-2,6-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7696271
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7233584
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2620897
2-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]-N-propylacetamide
CID 9163241
2-(4-cyano-2,6-dimethylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 65472856
2-(4-bromo-2,6-dichloroanilino)-N-(3-methylbutan-2-yl)acetamide
CID 55195038
2-(4-bromo-2-chloro-6-methylphenoxy)-1-cyclopropylethanone
CID 63903259

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methylbutan-2-yl)acetamide (CID 4813283) is 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methylbutan-2-yl)acetamide is Cc1cc(Br)cc(Cl)c1OCC(=O)NC(C)C(C)C.
What is the InChIKey of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is ICKYNPUJMXMQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO2/c1-8(2)10(4)17-13(18)7-19-14-9(3)5-11(15)6-12(14)16/h5-6,8,10H,7H2,1-4H3,(H,17,18).
What are the key properties of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methylbutan-2-yl)acetamide?
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 348.67 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 4813283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).