2-(4-bromo-2-cyanophenoxy)-N-(4-fluorophenyl)acetamide

C15H10BrFN2O2 — CID 80611460

IUPAC2-(4-bromo-2-cyanophenoxy)-N-(4-fluorophenyl)acetamide
SMILESN#Cc1cc(Br)ccc1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H10BrFN2O2/c16-11-1-6-14(10(7-11)8-18)21-9-15(20)19-13-4-2-12(17)3-5-13/h1-7H,9H2,(H,19,20)
InChIKeyUPYMMSHPKNLPSI-UHFFFAOYSA-N
MW349.16 g/mol
LogP3.48
Rot. Bonds4

About 2-(4-bromo-2-cyanophenoxy)-N-(4-fluorophenyl)acetamide

2-(4-bromo-2-cyanophenoxy)-N-(4-fluorophenyl)acetamide (PubChem CID 80611460) has the molecular formula C15H10BrFN2O2 and a molecular weight of 349.16 g/mol. Its IUPAC name is 2-(4-bromo-2-cyanophenoxy)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-cyanophenoxy)-N-(4-fluorophenyl)acetamide
PubChem CID80611460
Molecular FormulaC15H10BrFN2O2
Molecular Weight349.16 g/mol
Exact Mass347.99
IUPAC Name2-(4-bromo-2-cyanophenoxy)-N-(4-fluorophenyl)acetamide
SMILESN#Cc1cc(Br)ccc1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H10BrFN2O2/c16-11-1-6-14(10(7-11)8-18)21-9-15(20)19-13-4-2-12(17)3-5-13/h1-7H,9H2,(H,19,20)
InChIKeyUPYMMSHPKNLPSI-UHFFFAOYSA-N
XLogP3.48
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-2-cyanophenoxy)-N-(4-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-bromo-2-methylphenoxy)-N-(4-fluorophenyl)acetamide
CID 107284225
2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 115918565
N-(4-bromophenyl)-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80710351
2-(2-amino-4-bromophenoxy)-N-(4-bromophenyl)acetamide
CID 65430170
N-(4-bromophenyl)-2-(4-fluoro-2-formylphenoxy)acetamide
CID 107697645
2-(4-bromo-2-cyanophenoxy)-N-propylacetamide
CID 80601766
2-(2-amino-4-bromo-5-fluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 103482895
2-(2,4-difluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 580280
2-(4-bromo-2-cyanophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 80604720
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 16528162
2-(4-bromo-2-cyanophenoxy)-N-butylacetamide
CID 80602356
2-(2-amino-4-bromo-5-fluorophenoxy)-N-(4-bromophenyl)acetamide
CID 103482897

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-cyanophenoxy)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-cyanophenoxy)-N-(4-fluorophenyl)acetamide (CID 80611460) is 2-(4-bromo-2-cyanophenoxy)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-cyanophenoxy)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-cyanophenoxy)-N-(4-fluorophenyl)acetamide is N#Cc1cc(Br)ccc1OCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-(4-bromo-2-cyanophenoxy)-N-(4-fluorophenyl)acetamide?
The InChIKey is UPYMMSHPKNLPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O2/c16-11-1-6-14(10(7-11)8-18)21-9-15(20)19-13-4-2-12(17)3-5-13/h1-7H,9H2,(H,19,20).
What are the key properties of 2-(4-bromo-2-cyanophenoxy)-N-(4-fluorophenyl)acetamide?
2-(4-bromo-2-cyanophenoxy)-N-(4-fluorophenyl)acetamide has a molecular weight of 349.16 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-cyanophenoxy)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 80611460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).