2-(2-bromo-4-fluorophenoxy)-N-[(3-methylphenyl)methyl]propanamide

C17H17BrFNO2 — CID 55690625

IUPAC2-(2-bromo-4-fluorophenoxy)-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)C(C)Oc2ccc(F)cc2Br)c1
InChIInChI=1S/C17H17BrFNO2/c1-11-4-3-5-13(8-11)10-20-17(21)12(2)22-16-7-6-14(19)9-15(16)18/h3-9,12H,10H2,1-2H3,(H,20,21)
InChIKeyMCIZRIUQKOYGDP-UHFFFAOYSA-N
MW366.23 g/mol
LogP3.98
Rot. Bonds5

About 2-(2-bromo-4-fluorophenoxy)-N-[(3-methylphenyl)methyl]propanamide

2-(2-bromo-4-fluorophenoxy)-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 55690625) has the molecular formula C17H17BrFNO2 and a molecular weight of 366.23 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-[(3-methylphenyl)methyl]propanamide
PubChem CID55690625
Molecular FormulaC17H17BrFNO2
Molecular Weight366.23 g/mol
Exact Mass365.04
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)C(C)Oc2ccc(F)cc2Br)c1
InChIInChI=1S/C17H17BrFNO2/c1-11-4-3-5-13(8-11)10-20-17(21)12(2)22-16-7-6-14(19)9-15(16)18/h3-9,12H,10H2,1-2H3,(H,20,21)
InChIKeyMCIZRIUQKOYGDP-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide
CID 42960788
2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 53282908
2-(2-bromo-4-fluorophenoxy)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 43077800
2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 42990443
(2R)-2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 33278800
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
2-(2-bromo-4-fluorophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
CID 55693983
2-(2-bromo-4-fluorophenoxy)-N-[(5-bromothiophen-2-yl)methyl]propanamide
CID 55690465
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049
(2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 99132130
N-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide
CID 119496943

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[(3-methylphenyl)methyl]propanamide (CID 55690625) is 2-(2-bromo-4-fluorophenoxy)-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-[(3-methylphenyl)methyl]propanamide is Cc1cccc(CNC(=O)C(C)Oc2ccc(F)cc2Br)c1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is MCIZRIUQKOYGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO2/c1-11-4-3-5-13(8-11)10-20-17(21)12(2)22-16-7-6-14(19)9-15(16)18/h3-9,12H,10H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-[(3-methylphenyl)methyl]propanamide?
2-(2-bromo-4-fluorophenoxy)-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 366.23 g/mol, XLogP of 3.98, 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-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 55690625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).