2-(2-bromo-4-chlorophenoxy)-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide

C18H16BrClN2O2 — CID 2534824

IUPAC2-(2-bromo-4-chlorophenoxy)-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(N(CCC#N)C(=O)COc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C18H16BrClN2O2/c1-13-3-6-15(7-4-13)22(10-2-9-21)18(23)12-24-17-8-5-14(20)11-16(17)19/h3-8,11H,2,10,12H2,1H3
InChIKeyRDOQNWWRLCSDRO-UHFFFAOYSA-N
MW407.70 g/mol
LogP4.74
Rot. Bonds6

About 2-(2-bromo-4-chlorophenoxy)-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide

2-(2-bromo-4-chlorophenoxy)-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide (PubChem CID 2534824) has the molecular formula C18H16BrClN2O2 and a molecular weight of 407.70 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide
PubChem CID2534824
Molecular FormulaC18H16BrClN2O2
Molecular Weight407.70 g/mol
Exact Mass406.01
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(N(CCC#N)C(=O)COc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C18H16BrClN2O2/c1-13-3-6-15(7-4-13)22(10-2-9-21)18(23)12-24-17-8-5-14(20)11-16(17)19/h3-8,11H,2,10,12H2,1H3
InChIKeyRDOQNWWRLCSDRO-UHFFFAOYSA-N
XLogP4.74
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.70
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide (CID 2534824) is 2-(2-bromo-4-chlorophenoxy)-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide is Cc1ccc(N(CCC#N)C(=O)COc2ccc(Cl)cc2Br)cc1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide?
The InChIKey is RDOQNWWRLCSDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrClN2O2/c1-13-3-6-15(7-4-13)22(10-2-9-21)18(23)12-24-17-8-5-14(20)11-16(17)19/h3-8,11H,2,10,12H2,1H3.
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide?
2-(2-bromo-4-chlorophenoxy)-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide has a molecular weight of 407.70 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 2534824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).