2-(4-bromophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)propanamide

C12H14BrF2NO3 — CID 103769752

IUPAC2-(4-bromophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NCC(O)C(F)F
InChIInChI=1S/C12H14BrF2NO3/c1-7(12(18)16-6-10(17)11(14)15)19-9-4-2-8(13)3-5-9/h2-5,7,10-11,17H,6H2,1H3,(H,16,18)
InChIKeyRMGSILSGGQJHRX-UHFFFAOYSA-N
MW338.15 g/mol
LogP1.96
Rot. Bonds6

About 2-(4-bromophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)propanamide

2-(4-bromophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)propanamide (PubChem CID 103769752) has the molecular formula C12H14BrF2NO3 and a molecular weight of 338.15 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)propanamide
PubChem CID103769752
Molecular FormulaC12H14BrF2NO3
Molecular Weight338.15 g/mol
Exact Mass337.01
IUPAC Name2-(4-bromophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NCC(O)C(F)F
InChIInChI=1S/C12H14BrF2NO3/c1-7(12(18)16-6-10(17)11(14)15)19-9-4-2-8(13)3-5-9/h2-5,7,10-11,17H,6H2,1H3,(H,16,18)
InChIKeyRMGSILSGGQJHRX-UHFFFAOYSA-N
XLogP1.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-N-[3-(methylamino)propyl]propanamide
CID 119433897
4-[2-(4-bromophenoxy)propanoylamino]-3-methylbutanoic acid
CID 81063444
4-[2-(4-bromophenoxy)propanoylamino]-3-methoxybutanoic acid
CID 103152776
(2S)-2-(4-bromophenoxy)-N-butylpropanamide
CID 28826027
2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43083158
2-(4-bromophenoxy)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 43017424
2-(4-bromophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide
CID 55596800
(2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 9391636
2-(4-bromophenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide
CID 65112101
(2S)-2-(4-bromophenoxy)-N-cyanopropanamide
CID 164935402
2-(4-bromophenoxy)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
CID 66170661
(2R)-2-(4-bromophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 27823617

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)propanamide (CID 103769752) is 2-(4-bromophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)propanamide is CC(Oc1ccc(Br)cc1)C(=O)NCC(O)C(F)F.
What is the InChIKey of 2-(4-bromophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)propanamide?
The InChIKey is RMGSILSGGQJHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2NO3/c1-7(12(18)16-6-10(17)11(14)15)19-9-4-2-8(13)3-5-9/h2-5,7,10-11,17H,6H2,1H3,(H,16,18).
What are the key properties of 2-(4-bromophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)propanamide?
2-(4-bromophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)propanamide has a molecular weight of 338.15 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)propanamide is sourced from PubChem (CID 103769752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).