2-(3-bromo-2-chlorophenoxy)-2-methylpropanamide

C10H11BrClNO2 — CID 53255068

IUPAC2-(3-bromo-2-chlorophenoxy)-2-methylpropanamide
SMILESCC(C)(Oc1cccc(Br)c1Cl)C(N)=O
InChIInChI=1S/C10H11BrClNO2/c1-10(2,9(13)14)15-7-5-3-4-6(11)8(7)12/h3-5H,1-2H3,(H2,13,14)
InChIKeyVHSKIZQAAXKFMZ-UHFFFAOYSA-N
MW292.56 g/mol
LogP2.75
Rot. Bonds3

About 2-(3-bromo-2-chlorophenoxy)-2-methylpropanamide

2-(3-bromo-2-chlorophenoxy)-2-methylpropanamide (PubChem CID 53255068) has the molecular formula C10H11BrClNO2 and a molecular weight of 292.56 g/mol. Its IUPAC name is 2-(3-bromo-2-chlorophenoxy)-2-methylpropanamide.

Molecular Properties

Compound Name2-(3-bromo-2-chlorophenoxy)-2-methylpropanamide
PubChem CID53255068
Molecular FormulaC10H11BrClNO2
Molecular Weight292.56 g/mol
Exact Mass290.97
IUPAC Name2-(3-bromo-2-chlorophenoxy)-2-methylpropanamide
SMILESCC(C)(Oc1cccc(Br)c1Cl)C(N)=O
InChIInChI=1S/C10H11BrClNO2/c1-10(2,9(13)14)15-7-5-3-4-6(11)8(7)12/h3-5H,1-2H3,(H2,13,14)
InChIKeyVHSKIZQAAXKFMZ-UHFFFAOYSA-N
XLogP2.75
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.56
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dichlorophenoxy)-2-methylpropanamide
CID 53255066
2-chloro-1,3-bis[(2-methylpropan-2-yl)oxy]benzene
CID 68785646
(3-bromo-2-chlorophenyl) dihydrogen phosphate
CID 54375223
1-bromo-2-chloro-3-(2,2-difluoropropoxy)benzene
CID 156587175
(3-bromo-2-tert-butylphenyl) carbamate
CID 153406266
(3-bromo-2-chlorophenyl)methyl carbamate
CID 175597039
1-bromo-2-chloro-3-propoxybenzene
CID 126752460
methyl (Z)-2-amino-3-(3-bromo-2-chlorophenyl)prop-2-enoate
CID 145367768
1,2-dichloro-3-[(2-methylpropan-2-yl)oxy]benzene
CID 162775400
1-bromo-2-chloro-3-(2,2,2-trifluoroethoxy)benzene
CID 156587176
3-bromo-2-chloro-N-(2,2-dimethylbutyl)benzamide
CID 103461936
(3-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanone
CID 105056365

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-chlorophenoxy)-2-methylpropanamide?
The IUPAC name of 2-(3-bromo-2-chlorophenoxy)-2-methylpropanamide (CID 53255068) is 2-(3-bromo-2-chlorophenoxy)-2-methylpropanamide.
What is the SMILES notation for 2-(3-bromo-2-chlorophenoxy)-2-methylpropanamide?
The canonical SMILES for 2-(3-bromo-2-chlorophenoxy)-2-methylpropanamide is CC(C)(Oc1cccc(Br)c1Cl)C(N)=O.
What is the InChIKey of 2-(3-bromo-2-chlorophenoxy)-2-methylpropanamide?
The InChIKey is VHSKIZQAAXKFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO2/c1-10(2,9(13)14)15-7-5-3-4-6(11)8(7)12/h3-5H,1-2H3,(H2,13,14).
What are the key properties of 2-(3-bromo-2-chlorophenoxy)-2-methylpropanamide?
2-(3-bromo-2-chlorophenoxy)-2-methylpropanamide has a molecular weight of 292.56 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-chlorophenoxy)-2-methylpropanamide is sourced from PubChem (CID 53255068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).