N-(2-bromo-3-chlorophenyl)-2-methoxy-2-methylpropanamide

C11H13BrClNO2 — CID 103479902

IUPACN-(2-bromo-3-chlorophenyl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C11H13BrClNO2/c1-11(2,16-3)10(15)14-8-6-4-5-7(13)9(8)12/h4-6H,1-3H3,(H,14,15)
InChIKeyUFTYJCULHYXKNE-UHFFFAOYSA-N
MW306.59 g/mol
LogP3.47
Rot. Bonds3

About N-(2-bromo-3-chlorophenyl)-2-methoxy-2-methylpropanamide

N-(2-bromo-3-chlorophenyl)-2-methoxy-2-methylpropanamide (PubChem CID 103479902) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-2-methoxy-2-methylpropanamide
PubChem CID103479902
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC NameN-(2-bromo-3-chlorophenyl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C11H13BrClNO2/c1-11(2,16-3)10(15)14-8-6-4-5-7(13)9(8)12/h4-6H,1-3H3,(H,14,15)
InChIKeyUFTYJCULHYXKNE-UHFFFAOYSA-N
XLogP3.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-chloro-2-(dimethylamino)phenyl]-2-methoxy-2-methylpropanamide
CID 103028921
1-(2-bromo-3-chlorophenyl)-3-methylurea
CID 103478758
N-(2-bromo-3-chlorophenyl)-2-methylpropanamide
CID 103479781
N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxy-2-methylpropanamide
CID 103028879
methyl 3-(2-bromo-3-chloroanilino)propanoate
CID 103479005
3-[(2-bromo-3-chlorophenyl)carbamoylamino]-2,2,3-trimethylbutanoic acid
CID 103480805
2-bromo-N-(2-bromo-3-chlorophenyl)acetamide
CID 103478721
N-(2-bromophenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968886
2-[(2-bromo-3-chlorophenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 103480819
N-(2-bromo-3-chlorophenyl)-2,6-dihydroxybenzamide
CID 107688834
3-(2-bromo-3-chloroanilino)-2,2-dimethylpropanoic acid
CID 103479091
N-(2-bromo-3-chlorophenyl)-2-methylsulfanylacetamide
CID 103479840

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-2-methoxy-2-methylpropanamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-2-methoxy-2-methylpropanamide (CID 103479902) is N-(2-bromo-3-chlorophenyl)-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)Nc1cccc(Cl)c1Br.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-2-methoxy-2-methylpropanamide?
The InChIKey is UFTYJCULHYXKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c1-11(2,16-3)10(15)14-8-6-4-5-7(13)9(8)12/h4-6H,1-3H3,(H,14,15).
What are the key properties of N-(2-bromo-3-chlorophenyl)-2-methoxy-2-methylpropanamide?
N-(2-bromo-3-chlorophenyl)-2-methoxy-2-methylpropanamide has a molecular weight of 306.59 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103479902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).