2-(4-bromo-3-fluorophenoxy)-N-phenylpropanamide

C15H13BrFNO2 — CID 63998044

IUPAC2-(4-bromo-3-fluorophenoxy)-N-phenylpropanamide
SMILESCC(Oc1ccc(Br)c(F)c1)C(=O)Nc1ccccc1
InChIInChI=1S/C15H13BrFNO2/c1-10(15(19)18-11-5-3-2-4-6-11)20-12-7-8-13(16)14(17)9-12/h2-10H,1H3,(H,18,19)
InChIKeySZIGIOLLHKRRGN-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.99
Rot. Bonds4

About 2-(4-bromo-3-fluorophenoxy)-N-phenylpropanamide

2-(4-bromo-3-fluorophenoxy)-N-phenylpropanamide (PubChem CID 63998044) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenoxy)-N-phenylpropanamide.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenoxy)-N-phenylpropanamide
PubChem CID63998044
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name2-(4-bromo-3-fluorophenoxy)-N-phenylpropanamide
SMILESCC(Oc1ccc(Br)c(F)c1)C(=O)Nc1ccccc1
InChIInChI=1S/C15H13BrFNO2/c1-10(15(19)18-11-5-3-2-4-6-11)20-12-7-8-13(16)14(17)9-12/h2-10H,1H3,(H,18,19)
InChIKeySZIGIOLLHKRRGN-UHFFFAOYSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenoxy)-N-phenylpropanamide
CID 42982598
2-(4-chloro-3-fluorophenoxy)-N-phenylpropanamide
CID 82705817
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865
N-phenyl-2-(4-phenylphenoxy)propanamide
CID 2969640
N-(4-anilinophenyl)-2-(4-bromophenoxy)propanamide
CID 2953787
2-(4-aminophenoxy)-N-phenylpropanamide
CID 43115954
(2S)-2-(2-bromophenoxy)-N-phenylpropanamide
CID 7394881
(2S)-N-(3,4-difluorophenyl)-2-phenoxypropanamide
CID 670052
2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide
CID 18837977
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-phenylpropanamide
CID 78934009

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenoxy)-N-phenylpropanamide?
The IUPAC name of 2-(4-bromo-3-fluorophenoxy)-N-phenylpropanamide (CID 63998044) is 2-(4-bromo-3-fluorophenoxy)-N-phenylpropanamide.
What is the SMILES notation for 2-(4-bromo-3-fluorophenoxy)-N-phenylpropanamide?
The canonical SMILES for 2-(4-bromo-3-fluorophenoxy)-N-phenylpropanamide is CC(Oc1ccc(Br)c(F)c1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-(4-bromo-3-fluorophenoxy)-N-phenylpropanamide?
The InChIKey is SZIGIOLLHKRRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c1-10(15(19)18-11-5-3-2-4-6-11)20-12-7-8-13(16)14(17)9-12/h2-10H,1H3,(H,18,19).
What are the key properties of 2-(4-bromo-3-fluorophenoxy)-N-phenylpropanamide?
2-(4-bromo-3-fluorophenoxy)-N-phenylpropanamide has a molecular weight of 338.18 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenoxy)-N-phenylpropanamide is sourced from PubChem (CID 63998044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).