N-(4-bromophenyl)-3-(2-fluorophenoxy)propanamide

C15H13BrFNO2 — CID 26913928

IUPACN-(4-bromophenyl)-3-(2-fluorophenoxy)propanamide
SMILESO=C(CCOc1ccccc1F)Nc1ccc(Br)cc1
InChIInChI=1S/C15H13BrFNO2/c16-11-5-7-12(8-6-11)18-15(19)9-10-20-14-4-2-1-3-13(14)17/h1-8H,9-10H2,(H,18,19)
InChIKeyALPCMVGVUVJTJG-UHFFFAOYSA-N
MW338.18 g/mol
LogP4.00
Rot. Bonds5

About N-(4-bromophenyl)-3-(2-fluorophenoxy)propanamide

N-(4-bromophenyl)-3-(2-fluorophenoxy)propanamide (PubChem CID 26913928) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(2-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(2-fluorophenoxy)propanamide
PubChem CID26913928
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC NameN-(4-bromophenyl)-3-(2-fluorophenoxy)propanamide
SMILESO=C(CCOc1ccccc1F)Nc1ccc(Br)cc1
InChIInChI=1S/C15H13BrFNO2/c16-11-5-7-12(8-6-11)18-15(19)9-10-20-14-4-2-1-3-13(14)17/h1-8H,9-10H2,(H,18,19)
InChIKeyALPCMVGVUVJTJG-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

3-(2-fluorophenoxy)-N-(4-fluorophenyl)propanamide
CID 47097682
3-(2-aminophenoxy)-N-(4-bromophenyl)propanamide
CID 61091327
N-(4-bromophenyl)-3-(2-chlorophenoxy)propanamide
CID 108789381
N'-[2-(4-bromophenoxy)acetyl]-3-(2-fluorophenoxy)propanehydrazide
CID 78775232
3-(2-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)propanamide
CID 78866618
4-[4-(2-fluorophenoxy)butanoylamino]-N-methylbenzamide
CID 60549875
N-(2,4-difluorophenyl)-3-(2-fluorophenoxy)propanamide
CID 51158552
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253551
3-(2-fluorophenoxy)-N-methoxypropanamide
CID 60717911
3-(2-fluorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43388959
2-(2-fluorophenoxy)ethyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8729750
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8729751

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(2-fluorophenoxy)propanamide?
The IUPAC name of N-(4-bromophenyl)-3-(2-fluorophenoxy)propanamide (CID 26913928) is N-(4-bromophenyl)-3-(2-fluorophenoxy)propanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(2-fluorophenoxy)propanamide?
The canonical SMILES for N-(4-bromophenyl)-3-(2-fluorophenoxy)propanamide is O=C(CCOc1ccccc1F)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-(2-fluorophenoxy)propanamide?
The InChIKey is ALPCMVGVUVJTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c16-11-5-7-12(8-6-11)18-15(19)9-10-20-14-4-2-1-3-13(14)17/h1-8H,9-10H2,(H,18,19).
What are the key properties of N-(4-bromophenyl)-3-(2-fluorophenoxy)propanamide?
N-(4-bromophenyl)-3-(2-fluorophenoxy)propanamide 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-(4-bromophenyl)-3-(2-fluorophenoxy)propanamide is sourced from PubChem (CID 26913928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).