2-(4-bromophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide

C16H14BrF2NO2 — CID 55596800

IUPAC2-(4-bromophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C16H14BrF2NO2/c1-10(22-15-4-2-12(17)3-5-15)16(21)20-9-11-6-13(18)8-14(19)7-11/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyZAQHTHVSYIKRGA-UHFFFAOYSA-N
MW370.19 g/mol
LogP3.81
Rot. Bonds5

About 2-(4-bromophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide

2-(4-bromophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide (PubChem CID 55596800) has the molecular formula C16H14BrF2NO2 and a molecular weight of 370.19 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide
PubChem CID55596800
Molecular FormulaC16H14BrF2NO2
Molecular Weight370.19 g/mol
Exact Mass369.02
IUPAC Name2-(4-bromophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C16H14BrF2NO2/c1-10(22-15-4-2-12(17)3-5-15)16(21)20-9-11-6-13(18)8-14(19)7-11/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyZAQHTHVSYIKRGA-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 33278800
(2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 9391636
(2R)-2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]propanamide
CID 9165332
2-(4-bromophenoxy)-N-(naphthalen-1-ylmethyl)propanamide
CID 133217264
(2R)-2-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 1083198
2-(4-bromophenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 84929552
N-[(3-bromophenyl)methyl]-2-(4-methylphenoxy)propanamide
CID 75871684
2-(4-bromophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]propanamide
CID 55812284
2-(4-bromophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)propanamide
CID 103769752
2-(4-bromophenoxy)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 43017424
2-(4-bromophenoxy)-N-[3-(methylamino)propyl]propanamide
CID 119433897
(2S)-2-(4-bromophenoxy)-N-butylpropanamide
CID 28826027

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide (CID 55596800) is 2-(4-bromophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide is CC(Oc1ccc(Br)cc1)C(=O)NCc1cc(F)cc(F)c1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide?
The InChIKey is ZAQHTHVSYIKRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF2NO2/c1-10(22-15-4-2-12(17)3-5-15)16(21)20-9-11-6-13(18)8-14(19)7-11/h2-8,10H,9H2,1H3,(H,20,21).
What are the key properties of 2-(4-bromophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide?
2-(4-bromophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide has a molecular weight of 370.19 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide is sourced from PubChem (CID 55596800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).