N-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxy-N-methylbenzamide

C18H20BrNO4 — CID 112793987

IUPACN-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CCOc2ccc(Br)cc2)c(OC)c1
InChIInChI=1S/C18H20BrNO4/c1-20(10-11-24-14-6-4-13(19)5-7-14)18(21)16-9-8-15(22-2)12-17(16)23-3/h4-9,12H,10-11H2,1-3H3
InChIKeyHRPRSQABWDWSEP-UHFFFAOYSA-N
MW394.27 g/mol
LogP3.62
Rot. Bonds7

About N-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxy-N-methylbenzamide

N-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxy-N-methylbenzamide (PubChem CID 112793987) has the molecular formula C18H20BrNO4 and a molecular weight of 394.27 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxy-N-methylbenzamide
PubChem CID112793987
Molecular FormulaC18H20BrNO4
Molecular Weight394.27 g/mol
Exact Mass393.06
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CCOc2ccc(Br)cc2)c(OC)c1
InChIInChI=1S/C18H20BrNO4/c1-20(10-11-24-14-6-4-13(19)5-7-14)18(21)16-9-8-15(22-2)12-17(16)23-3/h4-9,12H,10-11H2,1-3H3
InChIKeyHRPRSQABWDWSEP-UHFFFAOYSA-N
XLogP3.62
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxy-N-methylbenzamide 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-dimethoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 18098220
N-[2-(4-bromophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide
CID 24546263
4-bromo-N-(2-ethoxyethyl)-2-methoxy-N-methylbenzamide
CID 113296075
4-bromo-2-methoxy-N-(3-methoxypropyl)-N-methylbenzamide
CID 78987861
4-bromo-N-(2-chloroethyl)-2-methoxy-N-methylbenzamide
CID 115370131
methyl 2-[2-(4-bromophenoxy)ethoxy]-4-methoxybenzoate
CID 7705076
4-amino-5-chloro-2-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide;hydrochloride
CID 119689180
4-bromo-N-butyl-2-methoxy-N-methylbenzamide
CID 78987650
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide
CID 18111734
5-bromo-2-hydroxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 35979056
5-chloro-4-iodo-2-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide
CID 55605627
4-bromo-2-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 78987855

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxy-N-methylbenzamide?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxy-N-methylbenzamide (CID 112793987) is N-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxy-N-methylbenzamide.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxy-N-methylbenzamide?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)CCOc2ccc(Br)cc2)c(OC)c1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxy-N-methylbenzamide?
The InChIKey is HRPRSQABWDWSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO4/c1-20(10-11-24-14-6-4-13(19)5-7-14)18(21)16-9-8-15(22-2)12-17(16)23-3/h4-9,12H,10-11H2,1-3H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxy-N-methylbenzamide?
N-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxy-N-methylbenzamide has a molecular weight of 394.27 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 112793987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).