2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide

C18H19BrClNO2 — CID 43876879

IUPAC2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)COc2ccc(Cl)cc2Br)c(C)c1
InChIInChI=1S/C18H19BrClNO2/c1-11-4-6-15(12(2)8-11)13(3)21-18(22)10-23-17-7-5-14(20)9-16(17)19/h4-9,13H,10H2,1-3H3,(H,21,22)
InChIKeySCVRTAOOZDAVIZ-UHFFFAOYSA-N
MW396.71 g/mol
LogP4.98
Rot. Bonds5

About 2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide

2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide (PubChem CID 43876879) has the molecular formula C18H19BrClNO2 and a molecular weight of 396.71 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
PubChem CID43876879
Molecular FormulaC18H19BrClNO2
Molecular Weight396.71 g/mol
Exact Mass395.03
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)COc2ccc(Cl)cc2Br)c(C)c1
InChIInChI=1S/C18H19BrClNO2/c1-11-4-6-15(12(2)8-11)13(3)21-18(22)10-23-17-7-5-14(20)9-16(17)19/h4-9,13H,10H2,1-3H3,(H,21,22)
InChIKeySCVRTAOOZDAVIZ-UHFFFAOYSA-N
XLogP4.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.71
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)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-(2-bromo-4-ethylphenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 43875399
2-(2-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327655
2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide
CID 965257
N-[1-(2-chlorophenyl)ethyl]-2-(2,4-dimethylphenoxy)acetamide
CID 24543941
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 94843755
2-(2,4-dichlorophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide
CID 99993779
2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 132662181
N-[1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 3325652
2-(4-chloro-2-methylphenoxy)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 16544805
(2R)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 79011222
2-(2-bromo-4-chlorophenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 92679394
2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 17327451

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide (CID 43876879) is 2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide is Cc1ccc(C(C)NC(=O)COc2ccc(Cl)cc2Br)c(C)c1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide?
The InChIKey is SCVRTAOOZDAVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClNO2/c1-11-4-6-15(12(2)8-11)13(3)21-18(22)10-23-17-7-5-14(20)9-16(17)19/h4-9,13H,10H2,1-3H3,(H,21,22).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide?
2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide has a molecular weight of 396.71 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 43876879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).