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

C15H12BrClFNO2 — CID 2081550

IUPAC2-(4-bromo-2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(COc1ccc(Br)cc1Cl)NCc1ccc(F)cc1
InChIInChI=1S/C15H12BrClFNO2/c16-11-3-6-14(13(17)7-11)21-9-15(20)19-8-10-1-4-12(18)5-2-10/h1-7H,8-9H2,(H,19,20)
InChIKeyBETWCSDEVCPGKN-UHFFFAOYSA-N
MW372.62 g/mol
LogP3.94
Rot. Bonds5

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

2-(4-bromo-2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 2081550) has the molecular formula C15H12BrClFNO2 and a molecular weight of 372.62 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID2081550
Molecular FormulaC15H12BrClFNO2
Molecular Weight372.62 g/mol
Exact Mass370.97
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(COc1ccc(Br)cc1Cl)NCc1ccc(F)cc1
InChIInChI=1S/C15H12BrClFNO2/c16-11-3-6-14(13(17)7-11)21-9-15(20)19-8-10-1-4-12(18)5-2-10/h1-7H,8-9H2,(H,19,20)
InChIKeyBETWCSDEVCPGKN-UHFFFAOYSA-N
XLogP3.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.62
LogP ≤ 53.94
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-chlorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide (CID 2081550) is 2-(4-bromo-2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide is O=C(COc1ccc(Br)cc1Cl)NCc1ccc(F)cc1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is BETWCSDEVCPGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO2/c16-11-3-6-14(13(17)7-11)21-9-15(20)19-8-10-1-4-12(18)5-2-10/h1-7H,8-9H2,(H,19,20).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide?
2-(4-bromo-2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 372.62 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 2081550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).