2-(4-bromo-2-chloro-6-methylphenoxy)-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide

C18H15BrClFN2O2 — CID 2439225

IUPAC2-(4-bromo-2-chloro-6-methylphenoxy)-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide
SMILESCc1cc(Br)cc(Cl)c1OCC(=O)N(CCC#N)c1ccccc1F
InChIInChI=1S/C18H15BrClFN2O2/c1-12-9-13(19)10-14(20)18(12)25-11-17(24)23(8-4-7-22)16-6-3-2-5-15(16)21/h2-3,5-6,9-10H,4,8,11H2,1H3
InChIKeyXQMRYEUWYDZWNE-UHFFFAOYSA-N
MW425.69 g/mol
LogP4.88
Rot. Bonds6

About 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide

2-(4-bromo-2-chloro-6-methylphenoxy)-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide (PubChem CID 2439225) has the molecular formula C18H15BrClFN2O2 and a molecular weight of 425.69 g/mol. Its IUPAC name is 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chloro-6-methylphenoxy)-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide
PubChem CID2439225
Molecular FormulaC18H15BrClFN2O2
Molecular Weight425.69 g/mol
Exact Mass424.00
IUPAC Name2-(4-bromo-2-chloro-6-methylphenoxy)-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide
SMILESCc1cc(Br)cc(Cl)c1OCC(=O)N(CCC#N)c1ccccc1F
InChIInChI=1S/C18H15BrClFN2O2/c1-12-9-13(19)10-14(20)18(12)25-11-17(24)23(8-4-7-22)16-6-3-2-5-15(16)21/h2-3,5-6,9-10H,4,8,11H2,1H3
InChIKeyXQMRYEUWYDZWNE-UHFFFAOYSA-N
XLogP4.88
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.69
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide (CID 2439225) is 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide is Cc1cc(Br)cc(Cl)c1OCC(=O)N(CCC#N)c1ccccc1F.
What is the InChIKey of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide?
The InChIKey is XQMRYEUWYDZWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClFN2O2/c1-12-9-13(19)10-14(20)18(12)25-11-17(24)23(8-4-7-22)16-6-3-2-5-15(16)21/h2-3,5-6,9-10H,4,8,11H2,1H3.
What are the key properties of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide?
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide has a molecular weight of 425.69 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 2439225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).