N-(4-bromo-2-fluorophenyl)-2-phenoxyacetamide

C14H11BrFNO2 — CID 956398

IUPACN-(4-bromo-2-fluorophenyl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(Br)cc1F
InChIInChI=1S/C14H11BrFNO2/c15-10-6-7-13(12(16)8-10)17-14(18)9-19-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18)
InChIKeyNDUHGHLDZBSVHD-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.61
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-2-phenoxyacetamide

N-(4-bromo-2-fluorophenyl)-2-phenoxyacetamide (PubChem CID 956398) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-phenoxyacetamide
PubChem CID956398
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(Br)cc1F
InChIInChI=1S/C14H11BrFNO2/c15-10-6-7-13(12(16)8-10)17-14(18)9-19-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18)
InChIKeyNDUHGHLDZBSVHD-UHFFFAOYSA-N
XLogP3.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-phenoxyacetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-phenoxyacetamide (CID 956398) is N-(4-bromo-2-fluorophenyl)-2-phenoxyacetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-phenoxyacetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-phenoxyacetamide?
The InChIKey is NDUHGHLDZBSVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c15-10-6-7-13(12(16)8-10)17-14(18)9-19-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-phenoxyacetamide?
N-(4-bromo-2-fluorophenyl)-2-phenoxyacetamide has a molecular weight of 324.15 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-phenoxyacetamide is sourced from PubChem (CID 956398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).