N-(3-bromo-5-chloro-2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C13H17BrClNO3 — CID 112604492

IUPACN-(3-bromo-5-chloro-2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCOc1c(Br)cc(Cl)cc1NC(=O)COC(C)(C)C
InChIInChI=1S/C13H17BrClNO3/c1-13(2,3)19-7-11(17)16-10-6-8(15)5-9(14)12(10)18-4/h5-6H,7H2,1-4H3,(H,16,17)
InChIKeyMTERMIYTZULRRN-UHFFFAOYSA-N
MW350.64 g/mol
LogP3.86
Rot. Bonds4

About N-(3-bromo-5-chloro-2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(3-bromo-5-chloro-2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112604492) has the molecular formula C13H17BrClNO3 and a molecular weight of 350.64 g/mol. Its IUPAC name is N-(3-bromo-5-chloro-2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(3-bromo-5-chloro-2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112604492
Molecular FormulaC13H17BrClNO3
Molecular Weight350.64 g/mol
Exact Mass349.01
IUPAC NameN-(3-bromo-5-chloro-2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCOc1c(Br)cc(Cl)cc1NC(=O)COC(C)(C)C
InChIInChI=1S/C13H17BrClNO3/c1-13(2,3)19-7-11(17)16-10-6-8(15)5-9(14)12(10)18-4/h5-6H,7H2,1-4H3,(H,16,17)
InChIKeyMTERMIYTZULRRN-UHFFFAOYSA-N
XLogP3.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.64
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-5-chloro-2-methoxyphenyl)-2-(methylamino)acetamide
CID 43704379
(2S)-2-amino-N-(3-bromo-5-chloro-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 61180758
N-(2-bromo-5-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 104723917
N-(3-bromo-5-chloro-2-methoxyphenyl)-3-piperidin-4-ylpropanamide
CID 62211576
N-(5-chloro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604822
3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-5-chlorobenzamide
CID 107951917
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604853
2-(3-bromo-5-chloro-2-methoxyanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 30645340
3-amino-4-(3-bromo-5-chloro-2-methoxyanilino)-4-oxobutanoic acid
CID 64895692
3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)pyridine-2-carboxamide
CID 107518279
methyl 5-[(3-bromo-5-chloro-2-methoxyanilino)methyl]furan-3-carboxylate
CID 104585695
5-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 35206912

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-chloro-2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(3-bromo-5-chloro-2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112604492) is N-(3-bromo-5-chloro-2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(3-bromo-5-chloro-2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(3-bromo-5-chloro-2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is COc1c(Br)cc(Cl)cc1NC(=O)COC(C)(C)C.
What is the InChIKey of N-(3-bromo-5-chloro-2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is MTERMIYTZULRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO3/c1-13(2,3)19-7-11(17)16-10-6-8(15)5-9(14)12(10)18-4/h5-6H,7H2,1-4H3,(H,16,17).
What are the key properties of N-(3-bromo-5-chloro-2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(3-bromo-5-chloro-2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 350.64 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-chloro-2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112604492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).