2-(4-bromophenoxy)-N-(2,3,4-trifluorophenyl)acetamide

C14H9BrF3NO2 — CID 2631889

IUPAC2-(4-bromophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H9BrF3NO2/c15-8-1-3-9(4-2-8)21-7-12(20)19-11-6-5-10(16)13(17)14(11)18/h1-6H,7H2,(H,19,20)
InChIKeyHCCOOUSKORQALV-UHFFFAOYSA-N
MW360.13 g/mol
LogP3.88
Rot. Bonds4

About 2-(4-bromophenoxy)-N-(2,3,4-trifluorophenyl)acetamide

2-(4-bromophenoxy)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 2631889) has the molecular formula C14H9BrF3NO2 and a molecular weight of 360.13 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID2631889
Molecular FormulaC14H9BrF3NO2
Molecular Weight360.13 g/mol
Exact Mass358.98
IUPAC Name2-(4-bromophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H9BrF3NO2/c15-8-1-3-9(4-2-8)21-7-12(20)19-11-6-5-10(16)13(17)14(11)18/h1-6H,7H2,(H,19,20)
InChIKeyHCCOOUSKORQALV-UHFFFAOYSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.13
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 9095297
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide
CID 55382041
2-(3-chlorophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 2633081
N-(4-bromo-2-iodophenyl)-2-(4-bromophenoxy)acetamide
CID 3967654
2-[[2-(4-bromophenoxy)acetyl]amino]-5-chlorobenzoic acid
CID 1026108
2-(4-bromophenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide
CID 1338216
N-(4-bromo-2-fluorophenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 4270758
2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide
CID 28552672
N-(2-amino-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 43376437
2-(2,6-dibromo-4-formylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 28913545
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 5-bromo-2-hydroxybenzoate
CID 16525414
2-[4-(butylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide
CID 28554061

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(2,3,4-trifluorophenyl)acetamide (CID 2631889) is 2-(4-bromophenoxy)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(2,3,4-trifluorophenyl)acetamide is O=C(COc1ccc(Br)cc1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(4-bromophenoxy)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is HCCOOUSKORQALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3NO2/c15-8-1-3-9(4-2-8)21-7-12(20)19-11-6-5-10(16)13(17)14(11)18/h1-6H,7H2,(H,19,20).
What are the key properties of 2-(4-bromophenoxy)-N-(2,3,4-trifluorophenyl)acetamide?
2-(4-bromophenoxy)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 360.13 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 2631889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).