N-(2-bromo-4-fluorophenyl)-3-phenoxypropanamide

C15H13BrFNO2 — CID 28938605

IUPACN-(2-bromo-4-fluorophenyl)-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1ccc(F)cc1Br
InChIInChI=1S/C15H13BrFNO2/c16-13-10-11(17)6-7-14(13)18-15(19)8-9-20-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19)
InChIKeySUCJISMPSZTDGK-UHFFFAOYSA-N
MW338.18 g/mol
LogP4.00
Rot. Bonds5

About N-(2-bromo-4-fluorophenyl)-3-phenoxypropanamide

N-(2-bromo-4-fluorophenyl)-3-phenoxypropanamide (PubChem CID 28938605) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-3-phenoxypropanamide
PubChem CID28938605
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC NameN-(2-bromo-4-fluorophenyl)-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1ccc(F)cc1Br
InChIInChI=1S/C15H13BrFNO2/c16-13-10-11(17)6-7-14(13)18-15(19)8-9-20-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19)
InChIKeySUCJISMPSZTDGK-UHFFFAOYSA-N
XLogP4.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-phenoxypropanamide
CID 39183994
N-(2-bromo-4-fluorophenyl)-3-phenylsulfanylpropanamide
CID 47249027
5-(2-bromo-4-fluoroanilino)-5-oxopentanoic acid
CID 43529761
N-(2-bromo-4-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 17395169
N-(2-bromo-5-methoxyphenyl)-3-phenoxypropanamide
CID 62416404
3-(4-fluorophenoxy)-N-(2-fluorophenyl)propanamide
CID 38765188
2-anilino-N-(2-bromo-4-fluorophenyl)acetamide
CID 60860763
N-(5-fluoro-2-morpholin-4-ylphenyl)-3-phenoxypropanamide
CID 113092711
N-(2,4-difluorophenyl)-3-(2-fluorophenoxy)propanamide
CID 51158552
N-(6-bromo-3-pyridinyl)-3-phenoxypropanamide
CID 110605094
3-(4-aminophenoxy)-N-(2-bromophenyl)propanamide
CID 61090388
N-(4-bromo-2-fluorophenyl)-3-(3-bromophenoxy)propanamide
CID 134059439

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-3-phenoxypropanamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-3-phenoxypropanamide (CID 28938605) is N-(2-bromo-4-fluorophenyl)-3-phenoxypropanamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-3-phenoxypropanamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-3-phenoxypropanamide is O=C(CCOc1ccccc1)Nc1ccc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-3-phenoxypropanamide?
The InChIKey is SUCJISMPSZTDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c16-13-10-11(17)6-7-14(13)18-15(19)8-9-20-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19).
What are the key properties of N-(2-bromo-4-fluorophenyl)-3-phenoxypropanamide?
N-(2-bromo-4-fluorophenyl)-3-phenoxypropanamide has a molecular weight of 338.18 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-3-phenoxypropanamide is sourced from PubChem (CID 28938605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).