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

C20H15BrClNO2 — CID 4960591

IUPAC2-(2-bromo-4-phenylphenoxy)-N-(4-chlorophenyl)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1Br)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H15BrClNO2/c21-18-12-15(14-4-2-1-3-5-14)6-11-19(18)25-13-20(24)23-17-9-7-16(22)8-10-17/h1-12H,13H2,(H,23,24)
InChIKeyIYVSRFYHWRPHRA-UHFFFAOYSA-N
MW416.70 g/mol
LogP5.79
Rot. Bonds5

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

2-(2-bromo-4-phenylphenoxy)-N-(4-chlorophenyl)acetamide (PubChem CID 4960591) has the molecular formula C20H15BrClNO2 and a molecular weight of 416.70 g/mol. Its IUPAC name is 2-(2-bromo-4-phenylphenoxy)-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-phenylphenoxy)-N-(4-chlorophenyl)acetamide
PubChem CID4960591
Molecular FormulaC20H15BrClNO2
Molecular Weight416.70 g/mol
Exact Mass415.00
IUPAC Name2-(2-bromo-4-phenylphenoxy)-N-(4-chlorophenyl)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1Br)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H15BrClNO2/c21-18-12-15(14-4-2-1-3-5-14)6-11-19(18)25-13-20(24)23-17-9-7-16(22)8-10-17/h1-12H,13H2,(H,23,24)
InChIKeyIYVSRFYHWRPHRA-UHFFFAOYSA-N
XLogP5.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.70
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235437
N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-3-methylbutanamide
CID 17194079
2-(2-bromo-4-phenylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 17340502
3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-(3-chloro-4-fluorophenyl)benzamide
CID 43877944
N-[3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231401
2-(2-bromo-4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130229
2-(2-bromo-4-phenylphenoxy)-N-(2-fluorophenyl)acetamide
CID 4960694
2-(2-chlorophenoxy)-N-(4-phenylphenyl)acetamide
CID 7926033
2-(2-bromo-4-phenylphenoxy)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 4960656
2-(2-bromo-4-phenylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 4960689
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)acetohydrazide
CID 2210119
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 29276938

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-(4-chlorophenyl)acetamide (CID 4960591) is 2-(2-bromo-4-phenylphenoxy)-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-phenylphenoxy)-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-phenylphenoxy)-N-(4-chlorophenyl)acetamide is O=C(COc1ccc(-c2ccccc2)cc1Br)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(2-bromo-4-phenylphenoxy)-N-(4-chlorophenyl)acetamide?
The InChIKey is IYVSRFYHWRPHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrClNO2/c21-18-12-15(14-4-2-1-3-5-14)6-11-19(18)25-13-20(24)23-17-9-7-16(22)8-10-17/h1-12H,13H2,(H,23,24).
What are the key properties of 2-(2-bromo-4-phenylphenoxy)-N-(4-chlorophenyl)acetamide?
2-(2-bromo-4-phenylphenoxy)-N-(4-chlorophenyl)acetamide has a molecular weight of 416.70 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-phenylphenoxy)-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 4960591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).