2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide

C17H16BrF2NO2 — CID 42990443

IUPAC2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESCC(Oc1ccc(F)cc1Br)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C17H16BrF2NO2/c1-11(23-16-7-6-14(20)10-15(16)18)17(22)21-9-8-12-2-4-13(19)5-3-12/h2-7,10-11H,8-9H2,1H3,(H,21,22)
InChIKeyIQPNECYCRHQEQL-UHFFFAOYSA-N
MW384.22 g/mol
LogP3.85
Rot. Bonds6

About 2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide

2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide (PubChem CID 42990443) has the molecular formula C17H16BrF2NO2 and a molecular weight of 384.22 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
PubChem CID42990443
Molecular FormulaC17H16BrF2NO2
Molecular Weight384.22 g/mol
Exact Mass383.03
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESCC(Oc1ccc(F)cc1Br)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C17H16BrF2NO2/c1-11(23-16-7-6-14(20)10-15(16)18)17(22)21-9-8-12-2-4-13(19)5-3-12/h2-7,10-11H,8-9H2,1H3,(H,21,22)
InChIKeyIQPNECYCRHQEQL-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.22
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 43077800
N-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide
CID 119496943
2-(2-bromo-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431551
2-(2-bromo-4-fluorophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide
CID 55685733
(2R)-2-(4-chloro-2-methylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 8709012
(2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 9391636
2-(2-ethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 133239774
2-(2-bromo-4-fluorophenoxy)-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide
CID 42960788
2-(2-bromo-4-fluorophenoxy)-N-[2-(diethylamino)propyl]propanamide
CID 47040437
2-(2-bromo-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120829559
(2R)-2-(5-fluoro-2-nitrophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 8873422
2-(2-bromo-4-fluorophenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 55690625

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide (CID 42990443) is 2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide is CC(Oc1ccc(F)cc1Br)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is IQPNECYCRHQEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF2NO2/c1-11(23-16-7-6-14(20)10-15(16)18)17(22)21-9-8-12-2-4-13(19)5-3-12/h2-7,10-11H,8-9H2,1H3,(H,21,22).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide?
2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 384.22 g/mol, XLogP of 3.85, 6 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-[2-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 42990443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).