N-(4-bromo-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide

C15H12BrF2NO2 — CID 18084154

IUPACN-(4-bromo-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H12BrF2NO2/c1-9(21-12-5-3-11(17)4-6-12)15(20)19-14-7-2-10(16)8-13(14)18/h2-9H,1H3,(H,19,20)
InChIKeyFYPMHYLDIFZVFJ-UHFFFAOYSA-N
MW356.17 g/mol
LogP4.13
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide

N-(4-bromo-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide (PubChem CID 18084154) has the molecular formula C15H12BrF2NO2 and a molecular weight of 356.17 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide
PubChem CID18084154
Molecular FormulaC15H12BrF2NO2
Molecular Weight356.17 g/mol
Exact Mass355.00
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H12BrF2NO2/c1-9(21-12-5-3-11(17)4-6-12)15(20)19-14-7-2-10(16)8-13(14)18/h2-9H,1H3,(H,19,20)
InChIKeyFYPMHYLDIFZVFJ-UHFFFAOYSA-N
XLogP4.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.17
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)propanamide
CID 18084152
(2S)-N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)propanamide
CID 7959134
(2R)-N-(4-bromo-2-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide
CID 8578082
(2S)-N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide
CID 7961263
2-(4-bromophenoxy)-N-(2,5-difluorophenyl)propanamide
CID 18084146
(2S)-N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenoxy)propanamide
CID 95079877
N-(4-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propanamide
CID 2930780
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617
[1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(4-bromophenoxy)propanoate
CID 55420222
(2R)-N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)propanamide
CID 8956661
(2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 9097735

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide (CID 18084154) is N-(4-bromo-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide is CC(Oc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide?
The InChIKey is FYPMHYLDIFZVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO2/c1-9(21-12-5-3-11(17)4-6-12)15(20)19-14-7-2-10(16)8-13(14)18/h2-9H,1H3,(H,19,20).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide?
N-(4-bromo-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide has a molecular weight of 356.17 g/mol, XLogP of 4.13, 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-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 18084154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).