2-(4-bromo-2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide

C19H19BrClNO3 — CID 46828930

IUPAC2-(4-bromo-2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C(=O)COc2ccc(Br)cc2Cl)C2CC2)cc1
InChIInChI=1S/C19H19BrClNO3/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
InChIKeyMXEUXWUADGVUJN-UHFFFAOYSA-N
MW424.72 g/mol
LogP4.68
Rot. Bonds7

About 2-(4-bromo-2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide

2-(4-bromo-2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 46828930) has the molecular formula C19H19BrClNO3 and a molecular weight of 424.72 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID46828930
Molecular FormulaC19H19BrClNO3
Molecular Weight424.72 g/mol
Exact Mass423.02
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C(=O)COc2ccc(Br)cc2Cl)C2CC2)cc1
InChIInChI=1S/C19H19BrClNO3/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
InChIKeyMXEUXWUADGVUJN-UHFFFAOYSA-N
XLogP4.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.72
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(2,4-dibromophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 26378786
2-(2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 78811041
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-propylbutanamide
CID 132681802
2-(4-bromo-2-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1287772
methyl 4-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethoxy]benzoate
CID 9019563
4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene
CID 59428353
2-(3-acetylphenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 18198380
2-(4-bromo-2-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 16528139
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide (CID 46828930) is 2-(4-bromo-2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CN(C(=O)COc2ccc(Br)cc2Cl)C2CC2)cc1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is MXEUXWUADGVUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClNO3/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 2-(4-bromo-2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide?
2-(4-bromo-2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 424.72 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 46828930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).