2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide

C22H17BrCl2FNO2 — CID 21079661

IUPAC2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide
SMILESCCc1ccc(CC(=O)Nc2ccccc2Cl)cc1Oc1cc(Br)cc(F)c1Cl
InChIInChI=1S/C22H17BrCl2FNO2/c1-2-14-8-7-13(10-21(28)27-18-6-4-3-5-16(18)24)9-19(14)29-20-12-15(23)11-17(26)22(20)25/h3-9,11-12H,2,10H2,1H3,(H,27,28)
InChIKeyBGVCNLRUJCSEPC-UHFFFAOYSA-N
MW497.19 g/mol
LogP7.43
Rot. Bonds6

About 2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide

2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide (PubChem CID 21079661) has the molecular formula C22H17BrCl2FNO2 and a molecular weight of 497.19 g/mol. Its IUPAC name is 2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide
PubChem CID21079661
Molecular FormulaC22H17BrCl2FNO2
Molecular Weight497.19 g/mol
Exact Mass494.98
IUPAC Name2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide
SMILESCCc1ccc(CC(=O)Nc2ccccc2Cl)cc1Oc1cc(Br)cc(F)c1Cl
InChIInChI=1S/C22H17BrCl2FNO2/c1-2-14-8-7-13(10-21(28)27-18-6-4-3-5-16(18)24)9-19(14)29-20-12-15(23)11-17(26)22(20)25/h3-9,11-12H,2,10H2,1H3,(H,27,28)
InChIKeyBGVCNLRUJCSEPC-UHFFFAOYSA-N
XLogP7.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.19
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide (CID 21079661) is 2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide is CCc1ccc(CC(=O)Nc2ccccc2Cl)cc1Oc1cc(Br)cc(F)c1Cl.
What is the InChIKey of 2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide?
The InChIKey is BGVCNLRUJCSEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrCl2FNO2/c1-2-14-8-7-13(10-21(28)27-18-6-4-3-5-16(18)24)9-19(14)29-20-12-15(23)11-17(26)22(20)25/h3-9,11-12H,2,10H2,1H3,(H,27,28).
What are the key properties of 2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide?
2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide has a molecular weight of 497.19 g/mol, XLogP of 7.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 21079661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).