2-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]-N-propylacetamide

C14H18BrClN2O3 — CID 9163241

IUPAC2-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)COc1c(C)cc(Br)cc1Cl
InChIInChI=1S/C14H18BrClN2O3/c1-3-4-17-12(19)7-18-13(20)8-21-14-9(2)5-10(15)6-11(14)16/h5-6H,3-4,7-8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyLLHPMJJNXIHWHP-UHFFFAOYSA-N
MW377.67 g/mol
LogP2.43
Rot. Bonds7

About 2-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]-N-propylacetamide

2-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]-N-propylacetamide (PubChem CID 9163241) has the molecular formula C14H18BrClN2O3 and a molecular weight of 377.67 g/mol. Its IUPAC name is 2-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]-N-propylacetamide
PubChem CID9163241
Molecular FormulaC14H18BrClN2O3
Molecular Weight377.67 g/mol
Exact Mass376.02
IUPAC Name2-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)COc1c(C)cc(Br)cc1Cl
InChIInChI=1S/C14H18BrClN2O3/c1-3-4-17-12(19)7-18-13(20)8-21-14-9(2)5-10(15)6-11(14)16/h5-6H,3-4,7-8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyLLHPMJJNXIHWHP-UHFFFAOYSA-N
XLogP2.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.67
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 9480027
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7233561
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 4813283
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 17401622
2-(4-bromo-2-chloro-6-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 9338818
2-(4-bromo-2-chloro-6-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 9338815
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2620897
2-[[2-(2-chlorophenoxy)acetyl]amino]-N-propylacetamide
CID 9011744
2-(4-bromo-2-chloro-6-methylphenoxy)-1-cyclopropylethanone
CID 63903259
2-(2-amino-6-bromo-4-chlorophenoxy)-N-propylacetamide
CID 43379167
2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-N-propylacetamide
CID 9286556
N-(2-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
CID 7233534

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]-N-propylacetamide?
The IUPAC name of 2-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]-N-propylacetamide (CID 9163241) is 2-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]-N-propylacetamide is CCCNC(=O)CNC(=O)COc1c(C)cc(Br)cc1Cl.
What is the InChIKey of 2-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]-N-propylacetamide?
The InChIKey is LLHPMJJNXIHWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O3/c1-3-4-17-12(19)7-18-13(20)8-21-14-9(2)5-10(15)6-11(14)16/h5-6H,3-4,7-8H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]-N-propylacetamide?
2-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]-N-propylacetamide has a molecular weight of 377.67 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]-N-propylacetamide is sourced from PubChem (CID 9163241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).