N-cyclopropyl-2-(2,4-dibromophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide

C19H19Br2NO3 — CID 26378786

IUPACN-cyclopropyl-2-(2,4-dibromophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C(=O)COc2ccc(Br)cc2Br)C2CC2)cc1
InChIInChI=1S/C19H19Br2NO3/c1-24-16-7-2-13(3-8-16)11-22(15-5-6-15)19(23)12-25-18-9-4-14(20)10-17(18)21/h2-4,7-10,15H,5-6,11-12H2,1H3
InChIKeyDWDQMUNABOIJEN-UHFFFAOYSA-N
MW469.17 g/mol
LogP4.79
Rot. Bonds7

About N-cyclopropyl-2-(2,4-dibromophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide

N-cyclopropyl-2-(2,4-dibromophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 26378786) has the molecular formula C19H19Br2NO3 and a molecular weight of 469.17 g/mol. Its IUPAC name is N-cyclopropyl-2-(2,4-dibromophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2,4-dibromophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID26378786
Molecular FormulaC19H19Br2NO3
Molecular Weight469.17 g/mol
Exact Mass466.97
IUPAC NameN-cyclopropyl-2-(2,4-dibromophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C(=O)COc2ccc(Br)cc2Br)C2CC2)cc1
InChIInChI=1S/C19H19Br2NO3/c1-24-16-7-2-13(3-8-16)11-22(15-5-6-15)19(23)12-25-18-9-4-14(20)10-17(18)21/h2-4,7-10,15H,5-6,11-12H2,1H3
InChIKeyDWDQMUNABOIJEN-UHFFFAOYSA-N
XLogP4.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.17
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 46828930
2-(2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 78811041
3-[cyclopropyl-[2-(2,4-dibromophenoxy)acetyl]amino]propanoic acid
CID 60845588
methyl 4-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethoxy]benzoate
CID 9019563
2-(3-acetylphenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 18198380
2-(4-benzoylphenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 9202236
3-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethoxy]benzamide
CID 55733850
4-[[[2-(4-bromo-2-fluorophenoxy)acetyl]-cyclopropylamino]methyl]-N-methylbenzamide
CID 30797391
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 18201195
N-cyclopropyl-4-[[cyclopropyl-[2-(4-methoxyphenoxy)acetyl]amino]methyl]benzamide
CID 33341644
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 18202925
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 60686602

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2,4-dibromophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-(2,4-dibromophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide (CID 26378786) is N-cyclopropyl-2-(2,4-dibromophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-(2,4-dibromophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-(2,4-dibromophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CN(C(=O)COc2ccc(Br)cc2Br)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-(2,4-dibromophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is DWDQMUNABOIJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Br2NO3/c1-24-16-7-2-13(3-8-16)11-22(15-5-6-15)19(23)12-25-18-9-4-14(20)10-17(18)21/h2-4,7-10,15H,5-6,11-12H2,1H3.
What are the key properties of N-cyclopropyl-2-(2,4-dibromophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide?
N-cyclopropyl-2-(2,4-dibromophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 469.17 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2,4-dibromophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 26378786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).