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

C20H15BrFNO2 — CID 4960694

IUPAC2-(2-bromo-4-phenylphenoxy)-N-(2-fluorophenyl)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1Br)Nc1ccccc1F
InChIInChI=1S/C20H15BrFNO2/c21-16-12-15(14-6-2-1-3-7-14)10-11-19(16)25-13-20(24)23-18-9-5-4-8-17(18)22/h1-12H,13H2,(H,23,24)
InChIKeyCUSULDOJOGRZRR-UHFFFAOYSA-N
MW400.25 g/mol
LogP5.27
Rot. Bonds5

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

2-(2-bromo-4-phenylphenoxy)-N-(2-fluorophenyl)acetamide (PubChem CID 4960694) has the molecular formula C20H15BrFNO2 and a molecular weight of 400.25 g/mol. Its IUPAC name is 2-(2-bromo-4-phenylphenoxy)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-phenylphenoxy)-N-(2-fluorophenyl)acetamide
PubChem CID4960694
Molecular FormulaC20H15BrFNO2
Molecular Weight400.25 g/mol
Exact Mass399.03
IUPAC Name2-(2-bromo-4-phenylphenoxy)-N-(2-fluorophenyl)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1Br)Nc1ccccc1F
InChIInChI=1S/C20H15BrFNO2/c21-16-12-15(14-6-2-1-3-7-14)10-11-19(16)25-13-20(24)23-18-9-5-4-8-17(18)22/h1-12H,13H2,(H,23,24)
InChIKeyCUSULDOJOGRZRR-UHFFFAOYSA-N
XLogP5.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.25
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-[2-(2-fluoroanilino)-2-oxoethoxy]benzoic acid
CID 45447437
2-(2-bromo-4-chlorophenoxy)-N-(2-fluorophenyl)acetamide
CID 2627508
2-(2-bromo-4-phenylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide
CID 17098032
2-(2-bromo-4-phenylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130961
2-(2-bromo-4-phenylphenoxy)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 17113280
2-(2-bromo-4-phenylphenoxy)-N-(4-chlorophenyl)acetamide
CID 4960591
2-(2-bromo-4-phenylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 17131486
2-[2-bromo-4-(hydroxyiminomethyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 4025119
N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235437
N-[3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231401
2-(2-bromo-4-phenylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 4960710
N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-3-methylbutanamide
CID 17194079

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-(2-fluorophenyl)acetamide (CID 4960694) is 2-(2-bromo-4-phenylphenoxy)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-phenylphenoxy)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-phenylphenoxy)-N-(2-fluorophenyl)acetamide is O=C(COc1ccc(-c2ccccc2)cc1Br)Nc1ccccc1F.
What is the InChIKey of 2-(2-bromo-4-phenylphenoxy)-N-(2-fluorophenyl)acetamide?
The InChIKey is CUSULDOJOGRZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrFNO2/c21-16-12-15(14-6-2-1-3-7-14)10-11-19(16)25-13-20(24)23-18-9-5-4-8-17(18)22/h1-12H,13H2,(H,23,24).
What are the key properties of 2-(2-bromo-4-phenylphenoxy)-N-(2-fluorophenyl)acetamide?
2-(2-bromo-4-phenylphenoxy)-N-(2-fluorophenyl)acetamide has a molecular weight of 400.25 g/mol, XLogP of 5.27, 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-(2-fluorophenyl)acetamide is sourced from PubChem (CID 4960694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).