2-(4-bromo-2-methylphenoxy)-N-(2-chlorophenyl)acetamide

C15H13BrClNO2 — CID 1328469

IUPAC2-(4-bromo-2-methylphenoxy)-N-(2-chlorophenyl)acetamide
SMILESCc1cc(Br)ccc1OCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H13BrClNO2/c1-10-8-11(16)6-7-14(10)20-9-15(19)18-13-5-3-2-4-12(13)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyVYGMVYNKVHHILB-UHFFFAOYSA-N
MW354.63 g/mol
LogP4.43
Rot. Bonds4

About 2-(4-bromo-2-methylphenoxy)-N-(2-chlorophenyl)acetamide

2-(4-bromo-2-methylphenoxy)-N-(2-chlorophenyl)acetamide (PubChem CID 1328469) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-N-(2-chlorophenyl)acetamide
PubChem CID1328469
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC Name2-(4-bromo-2-methylphenoxy)-N-(2-chlorophenyl)acetamide
SMILESCc1cc(Br)ccc1OCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H13BrClNO2/c1-10-8-11(16)6-7-14(10)20-9-15(19)18-13-5-3-2-4-12(13)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyVYGMVYNKVHHILB-UHFFFAOYSA-N
XLogP4.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-(2-chlorophenyl)acetamide (CID 1328469) is 2-(4-bromo-2-methylphenoxy)-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-N-(2-chlorophenyl)acetamide is Cc1cc(Br)ccc1OCC(=O)Nc1ccccc1Cl.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-N-(2-chlorophenyl)acetamide?
The InChIKey is VYGMVYNKVHHILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c1-10-8-11(16)6-7-14(10)20-9-15(19)18-13-5-3-2-4-12(13)17/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 2-(4-bromo-2-methylphenoxy)-N-(2-chlorophenyl)acetamide?
2-(4-bromo-2-methylphenoxy)-N-(2-chlorophenyl)acetamide has a molecular weight of 354.63 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenoxy)-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 1328469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).