2-(4-bromo-2-chloro-6-methylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide

C18H19BrClNO3 — CID 17435811

IUPAC2-(4-bromo-2-chloro-6-methylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1C(C)NC(=O)COc1c(C)cc(Br)cc1Cl
InChIInChI=1S/C18H19BrClNO3/c1-11-8-13(19)9-15(20)18(11)24-10-17(22)21-12(2)14-6-4-5-7-16(14)23-3/h4-9,12H,10H2,1-3H3,(H,21,22)
InChIKeyHJBNTBKUKOTIRD-UHFFFAOYSA-N
MW412.71 g/mol
LogP4.68
Rot. Bonds6

About 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide

2-(4-bromo-2-chloro-6-methylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 17435811) has the molecular formula C18H19BrClNO3 and a molecular weight of 412.71 g/mol. Its IUPAC name is 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chloro-6-methylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID17435811
Molecular FormulaC18H19BrClNO3
Molecular Weight412.71 g/mol
Exact Mass411.02
IUPAC Name2-(4-bromo-2-chloro-6-methylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1C(C)NC(=O)COc1c(C)cc(Br)cc1Cl
InChIInChI=1S/C18H19BrClNO3/c1-11-8-13(19)9-15(20)18(11)24-10-17(22)21-12(2)14-6-4-5-7-16(14)23-3/h4-9,12H,10H2,1-3H3,(H,21,22)
InChIKeyHJBNTBKUKOTIRD-UHFFFAOYSA-N
XLogP4.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.71
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7719203
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 4813283
2-(4-chloro-2-methylphenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7936549
N-[1-(2-bromophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 16548373
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7233584
2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9263709
2-(3,5-dimethylphenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 27787506
2-(4-chlorophenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7719123
2-(2-bromo-4-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 100513410
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 7290642
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzamide
CID 17442232
2-(2-ethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144695

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide (CID 17435811) is 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1C(C)NC(=O)COc1c(C)cc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is HJBNTBKUKOTIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClNO3/c1-11-8-13(19)9-15(20)18(11)24-10-17(22)21-12(2)14-6-4-5-7-16(14)23-3/h4-9,12H,10H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide?
2-(4-bromo-2-chloro-6-methylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 412.71 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 17435811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).