N-(4-bromo-2,5-dimethoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide

C17H17BrClNO4 — CID 19172733

IUPACN-(4-bromo-2,5-dimethoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide
SMILESCOc1cc(NC(=O)COc2ccc(Cl)cc2C)c(OC)cc1Br
InChIInChI=1S/C17H17BrClNO4/c1-10-6-11(19)4-5-14(10)24-9-17(21)20-13-8-15(22-2)12(18)7-16(13)23-3/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyFZKRWZSLQNXAJZ-UHFFFAOYSA-N
MW414.68 g/mol
LogP4.45
Rot. Bonds6

About N-(4-bromo-2,5-dimethoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide

N-(4-bromo-2,5-dimethoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide (PubChem CID 19172733) has the molecular formula C17H17BrClNO4 and a molecular weight of 414.68 g/mol. Its IUPAC name is N-(4-bromo-2,5-dimethoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,5-dimethoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide
PubChem CID19172733
Molecular FormulaC17H17BrClNO4
Molecular Weight414.68 g/mol
Exact Mass413.00
IUPAC NameN-(4-bromo-2,5-dimethoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide
SMILESCOc1cc(NC(=O)COc2ccc(Cl)cc2C)c(OC)cc1Br
InChIInChI=1S/C17H17BrClNO4/c1-10-6-11(19)4-5-14(10)24-9-17(21)20-13-8-15(22-2)12(18)7-16(13)23-3/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyFZKRWZSLQNXAJZ-UHFFFAOYSA-N
XLogP4.45
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.68
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2,5-dimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 5183208
N-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19180531
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-methoxybenzoic acid
CID 28676331
2-(4-chloro-2-methylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 923084
N-(4-chloro-2-methylphenyl)-2-(2,4-dibromophenoxy)acetamide
CID 1189036
2-(4-bromo-2,3,5-trimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 5201161
N-(2-amino-4-chlorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29045302
2-(4-bromo-2,6-dimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 19180419
2-(2-bromo-4-fluorophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 40604024
2-(4-chloro-2-methylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide
CID 5119772
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406721
N-(3-amino-4-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 50878679

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-dimethoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide?
The IUPAC name of N-(4-bromo-2,5-dimethoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide (CID 19172733) is N-(4-bromo-2,5-dimethoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide.
What is the SMILES notation for N-(4-bromo-2,5-dimethoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide?
The canonical SMILES for N-(4-bromo-2,5-dimethoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide is COc1cc(NC(=O)COc2ccc(Cl)cc2C)c(OC)cc1Br.
What is the InChIKey of N-(4-bromo-2,5-dimethoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide?
The InChIKey is FZKRWZSLQNXAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO4/c1-10-6-11(19)4-5-14(10)24-9-17(21)20-13-8-15(22-2)12(18)7-16(13)23-3/h4-8H,9H2,1-3H3,(H,20,21).
What are the key properties of N-(4-bromo-2,5-dimethoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide?
N-(4-bromo-2,5-dimethoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide has a molecular weight of 414.68 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,5-dimethoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide is sourced from PubChem (CID 19172733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).