2-(2-bromo-4-fluorophenoxy)-N-(1-phenylethyl)propanamide

C17H17BrFNO2 — CID 42990409

IUPAC2-(2-bromo-4-fluorophenoxy)-N-(1-phenylethyl)propanamide
SMILESCC(Oc1ccc(F)cc1Br)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C17H17BrFNO2/c1-11(13-6-4-3-5-7-13)20-17(21)12(2)22-16-9-8-14(19)10-15(16)18/h3-12H,1-2H3,(H,20,21)
InChIKeyKEJWPQDBXVLFID-UHFFFAOYSA-N
MW366.23 g/mol
LogP4.23
Rot. Bonds5

About 2-(2-bromo-4-fluorophenoxy)-N-(1-phenylethyl)propanamide

2-(2-bromo-4-fluorophenoxy)-N-(1-phenylethyl)propanamide (PubChem CID 42990409) has the molecular formula C17H17BrFNO2 and a molecular weight of 366.23 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-(1-phenylethyl)propanamide
PubChem CID42990409
Molecular FormulaC17H17BrFNO2
Molecular Weight366.23 g/mol
Exact Mass365.04
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-(1-phenylethyl)propanamide
SMILESCC(Oc1ccc(F)cc1Br)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C17H17BrFNO2/c1-11(13-6-4-3-5-7-13)20-17(21)12(2)22-16-9-8-14(19)10-15(16)18/h3-12H,1-2H3,(H,20,21)
InChIKeyKEJWPQDBXVLFID-UHFFFAOYSA-N
XLogP4.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-[2-(dimethylamino)-1-phenylethyl]propanamide
CID 78873922
2-(4-fluorophenoxy)-N-(1-phenylethyl)propanamide
CID 21173393
(2R)-2-(2-bromo-4-fluorophenoxy)-1-phenylpropan-1-one
CID 94185693
2-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide
CID 43112360
N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride
CID 120507180
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 99132204
(2S)-2-(2-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 42563640
(2S)-2-(4-bromo-2-chlorophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 8752841
(2R)-2-(2-bromo-4-fluorophenoxy)-N-(2-chlorophenyl)propanamide
CID 8728698
(2R)-2-(2-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 92682028
N-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide
CID 119496943
2-bromo-4-fluoro-N-(1-phenylethyl)benzamide
CID 24708890

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(1-phenylethyl)propanamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(1-phenylethyl)propanamide (CID 42990409) is 2-(2-bromo-4-fluorophenoxy)-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-(1-phenylethyl)propanamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-(1-phenylethyl)propanamide is CC(Oc1ccc(F)cc1Br)C(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-(1-phenylethyl)propanamide?
The InChIKey is KEJWPQDBXVLFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO2/c1-11(13-6-4-3-5-7-13)20-17(21)12(2)22-16-9-8-14(19)10-15(16)18/h3-12H,1-2H3,(H,20,21).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-(1-phenylethyl)propanamide?
2-(2-bromo-4-fluorophenoxy)-N-(1-phenylethyl)propanamide has a molecular weight of 366.23 g/mol, XLogP of 4.23, 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-fluorophenoxy)-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 42990409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).