2-(2-bromo-4-chlorophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide

C15H10BrClF3NO2 — CID 7900662

IUPAC2-(2-bromo-4-chlorophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10BrClF3NO2/c16-12-7-10(17)4-5-13(12)23-8-14(22)21-11-3-1-2-9(6-11)15(18,19)20/h1-7H,8H2,(H,21,22)
InChIKeyYZFBPCWMDUAVOS-UHFFFAOYSA-N
MW408.60 g/mol
LogP5.14
Rot. Bonds4

About 2-(2-bromo-4-chlorophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(2-bromo-4-chlorophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 7900662) has the molecular formula C15H10BrClF3NO2 and a molecular weight of 408.60 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID7900662
Molecular FormulaC15H10BrClF3NO2
Molecular Weight408.60 g/mol
Exact Mass406.95
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10BrClF3NO2/c16-12-7-10(17)4-5-13(12)23-8-14(22)21-11-3-1-2-9(6-11)15(18,19)20/h1-7H,8H2,(H,21,22)
InChIKeyYZFBPCWMDUAVOS-UHFFFAOYSA-N
XLogP5.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.60
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-(3-bromophenyl)acetamide
CID 19202088
N-[3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231269
3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide
CID 25431218
2-(2-bromo-4-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 4924477
2-(2,4-dichlorophenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 43881529
3-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]-N-[3-(trifluoromethyl)phenyl]butanamide
CID 4587745
2-(4-bromophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1177163
3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164499
N-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757682
2-(2-bromo-4-chlorophenoxy)-N-[4-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenoxy]phenyl]acetamide
CID 5229732
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 29276938
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 3-methoxy-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoate
CID 3643580

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 7900662) is 2-(2-bromo-4-chlorophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(COc1ccc(Cl)cc1Br)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YZFBPCWMDUAVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClF3NO2/c16-12-7-10(17)4-5-13(12)23-8-14(22)21-11-3-1-2-9(6-11)15(18,19)20/h1-7H,8H2,(H,21,22).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(2-bromo-4-chlorophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 408.60 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 7900662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).