N-benzyl-2-(2,4-dibromophenoxy)-N-methylacetamide

C16H15Br2NO2 — CID 2632781

IUPACN-benzyl-2-(2,4-dibromophenoxy)-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C16H15Br2NO2/c1-19(10-12-5-3-2-4-6-12)16(20)11-21-15-8-7-13(17)9-14(15)18/h2-9H,10-11H2,1H3
InChIKeyHKLZQVNMPJAEOG-UHFFFAOYSA-N
MW413.11 g/mol
LogP4.25
Rot. Bonds5

About N-benzyl-2-(2,4-dibromophenoxy)-N-methylacetamide

N-benzyl-2-(2,4-dibromophenoxy)-N-methylacetamide (PubChem CID 2632781) has the molecular formula C16H15Br2NO2 and a molecular weight of 413.11 g/mol. Its IUPAC name is N-benzyl-2-(2,4-dibromophenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(2,4-dibromophenoxy)-N-methylacetamide
PubChem CID2632781
Molecular FormulaC16H15Br2NO2
Molecular Weight413.11 g/mol
Exact Mass410.95
IUPAC NameN-benzyl-2-(2,4-dibromophenoxy)-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C16H15Br2NO2/c1-19(10-12-5-3-2-4-6-12)16(20)11-21-15-8-7-13(17)9-14(15)18/h2-9H,10-11H2,1H3
InChIKeyHKLZQVNMPJAEOG-UHFFFAOYSA-N
XLogP4.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.11
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzyl-2-(2,4-dibromophenoxy)-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

4-[[2-(2,4-dibromophenoxy)acetyl]-methylamino]butanoic acid
CID 43092375
2-(2,4-dibromophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63940996
N-benzyl-N-[2-[benzyl-[2-(4-bromo-2-chlorophenoxy)acetyl]amino]ethyl]-2-(4-bromo-2-chlorophenoxy)acetamide
CID 4667979
N-benzyl-2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-methylacetamide
CID 19202013
(E)-3-[5-bromo-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]prop-2-enoic acid
CID 43309807
N-benzyl-N-[2-[benzyl-[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]ethyl]-2-(4-bromo-2-tert-butylphenoxy)acetamide
CID 17052222
2-(2-bromophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 112777999
N-cyclopropyl-2-(2,4-dibromophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 26378786
2-(5-bromo-2-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 112828375
2-(2,4-dibromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide
CID 60655130
benzyl N-[[2-(2,4-dibromophenoxy)acetyl]amino]carbamate
CID 4935845
2-(2-bromo-4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 28576849

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,4-dibromophenoxy)-N-methylacetamide?
The IUPAC name of N-benzyl-2-(2,4-dibromophenoxy)-N-methylacetamide (CID 2632781) is N-benzyl-2-(2,4-dibromophenoxy)-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(2,4-dibromophenoxy)-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(2,4-dibromophenoxy)-N-methylacetamide is CN(Cc1ccccc1)C(=O)COc1ccc(Br)cc1Br.
What is the InChIKey of N-benzyl-2-(2,4-dibromophenoxy)-N-methylacetamide?
The InChIKey is HKLZQVNMPJAEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO2/c1-19(10-12-5-3-2-4-6-12)16(20)11-21-15-8-7-13(17)9-14(15)18/h2-9H,10-11H2,1H3.
What are the key properties of N-benzyl-2-(2,4-dibromophenoxy)-N-methylacetamide?
N-benzyl-2-(2,4-dibromophenoxy)-N-methylacetamide has a molecular weight of 413.11 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,4-dibromophenoxy)-N-methylacetamide is sourced from PubChem (CID 2632781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).