2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide

C11H13BrClNO2 — CID 965257

IUPAC2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C11H13BrClNO2/c1-7(2)14-11(15)6-16-10-4-3-8(13)5-9(10)12/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyLVFKLCWCRFIFOM-UHFFFAOYSA-N
MW306.59 g/mol
LogP3.01
Rot. Bonds4

About 2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide

2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide (PubChem CID 965257) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide
PubChem CID965257
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C11H13BrClNO2/c1-7(2)14-11(15)6-16-10-4-3-8(13)5-9(10)12/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyLVFKLCWCRFIFOM-UHFFFAOYSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 79011222
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]butanedioic acid
CID 78910185
2-(2-bromo-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 19202796
methyl (2S)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-3-hydroxypropanoate
CID 9277756
2-(2-bromo-4-chlorophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 4217698
1-(2-bromo-4-chlorophenoxy)-3-methylbutan-2-one
CID 78949293
2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 43876879
2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 7708017
2-(2-bromo-4-butan-2-ylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide
CID 17189744
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 3354989
2-(2-bromo-4-chlorophenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 92679394
N-[[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]carbamothioyl]-2-methylpropanamide
CID 4926464

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide (CID 965257) is 2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide is CC(C)NC(=O)COc1ccc(Cl)cc1Br.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide?
The InChIKey is LVFKLCWCRFIFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c1-7(2)14-11(15)6-16-10-4-3-8(13)5-9(10)12/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide?
2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide has a molecular weight of 306.59 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide is sourced from PubChem (CID 965257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).