N-benzyl-2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-methylacetamide

C18H19BrClNO2 — CID 19202013

IUPACN-benzyl-2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-methylacetamide
SMILESCc1cc(OCC(=O)N(C)Cc2ccccc2)c(Br)c(C)c1Cl
InChIInChI=1S/C18H19BrClNO2/c1-12-9-15(17(19)13(2)18(12)20)23-11-16(22)21(3)10-14-7-5-4-6-8-14/h4-9H,10-11H2,1-3H3
InChIKeyCKZKJWNSUYLGNV-UHFFFAOYSA-N
MW396.71 g/mol
LogP4.76
Rot. Bonds5

About N-benzyl-2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-methylacetamide

N-benzyl-2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-methylacetamide (PubChem CID 19202013) has the molecular formula C18H19BrClNO2 and a molecular weight of 396.71 g/mol. Its IUPAC name is N-benzyl-2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-methylacetamide
PubChem CID19202013
Molecular FormulaC18H19BrClNO2
Molecular Weight396.71 g/mol
Exact Mass395.03
IUPAC NameN-benzyl-2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-methylacetamide
SMILESCc1cc(OCC(=O)N(C)Cc2ccccc2)c(Br)c(C)c1Cl
InChIInChI=1S/C18H19BrClNO2/c1-12-9-15(17(19)13(2)18(12)20)23-11-16(22)21(3)10-14-7-5-4-6-8-14/h4-9H,10-11H2,1-3H3
InChIKeyCKZKJWNSUYLGNV-UHFFFAOYSA-N
XLogP4.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.71
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzyl-2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-methylacetamide 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

N-benzyl-2-(2,4-dibromophenoxy)-N-methylacetamide
CID 2632781
N-benzyl-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide
CID 112977936
2-(2,5-dichlorophenoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 112774399
N-benzyl-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
CID 18872237
N-[(4-chlorophenyl)methyl]-2-(2-ethylphenoxy)-N-methylacetamide
CID 112778951
2-(2-chloro-5-methylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 112775473
2-(2-chloro-5-methylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 112775470
N-[(3-chlorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide
CID 78770504
2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 112777582
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19219911
N-benzyl-2-(3-fluorophenoxy)-N-methylacetamide
CID 110755450
2-(2-bromophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 112777998

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-methylacetamide?
The IUPAC name of N-benzyl-2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-methylacetamide (CID 19202013) is N-benzyl-2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-methylacetamide is Cc1cc(OCC(=O)N(C)Cc2ccccc2)c(Br)c(C)c1Cl.
What is the InChIKey of N-benzyl-2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-methylacetamide?
The InChIKey is CKZKJWNSUYLGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClNO2/c1-12-9-15(17(19)13(2)18(12)20)23-11-16(22)21(3)10-14-7-5-4-6-8-14/h4-9H,10-11H2,1-3H3.
What are the key properties of N-benzyl-2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-methylacetamide?
N-benzyl-2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-methylacetamide has a molecular weight of 396.71 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-methylacetamide is sourced from PubChem (CID 19202013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).