3-[2-(difluoromethoxy)phenyl]-2,3-dihydroxypropanamide

C10H11F2NO4 — CID 171868513

IUPAC3-[2-(difluoromethoxy)phenyl]-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1ccccc1OC(F)F
InChIInChI=1S/C10H11F2NO4/c11-10(12)17-6-4-2-1-3-5(6)7(14)8(15)9(13)16/h1-4,7-8,10,14-15H,(H2,13,16)
InChIKeyBUKWKRLJXNRICM-UHFFFAOYSA-N
MW247.20 g/mol
LogP0.17
Rot. Bonds5

About 3-[2-(difluoromethoxy)phenyl]-2,3-dihydroxypropanamide

3-[2-(difluoromethoxy)phenyl]-2,3-dihydroxypropanamide (PubChem CID 171868513) has the molecular formula C10H11F2NO4 and a molecular weight of 247.20 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)phenyl]-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)phenyl]-2,3-dihydroxypropanamide
PubChem CID171868513
Molecular FormulaC10H11F2NO4
Molecular Weight247.20 g/mol
Exact Mass247.07
IUPAC Name3-[2-(difluoromethoxy)phenyl]-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1ccccc1OC(F)F
InChIInChI=1S/C10H11F2NO4/c11-10(12)17-6-4-2-1-3-5(6)7(14)8(15)9(13)16/h1-4,7-8,10,14-15H,(H2,13,16)
InChIKeyBUKWKRLJXNRICM-UHFFFAOYSA-N
XLogP0.17
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(difluoromethoxy)phenyl]-2-methylpropan-1-ol
CID 63894804
methyl 2-[[2-(difluoromethoxy)phenyl]-hydroxymethyl]-3-methylbutanoate
CID 62395965
2-(3-amino-1,2-dihydroxy-3-oxopropyl)benzamide
CID 171869290
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide
CID 43709973
(1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol
CID 78930737
3-[2-(difluoromethoxy)phenyl]-3-(methylamino)propanamide
CID 65236190
methyl 4-amino-3-[2-(difluoromethoxy)phenyl]butanoate
CID 66098301
3-[2-(aminomethyl)phenyl]-2,3-dihydroxypropanamide
CID 171867891
4-amino-4-[2-(difluoromethoxy)phenyl]butanoic acid
CID 117364212
(1R,2S)-1-amino-1-[2-(difluoromethoxy)phenyl]butan-2-ol
CID 171264497
ethyl 3-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-dihydroxypropanoate
CID 171866682
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methoxypropanamide
CID 112685807

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)phenyl]-2,3-dihydroxypropanamide?
The IUPAC name of 3-[2-(difluoromethoxy)phenyl]-2,3-dihydroxypropanamide (CID 171868513) is 3-[2-(difluoromethoxy)phenyl]-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-[2-(difluoromethoxy)phenyl]-2,3-dihydroxypropanamide?
The canonical SMILES for 3-[2-(difluoromethoxy)phenyl]-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1ccccc1OC(F)F.
What is the InChIKey of 3-[2-(difluoromethoxy)phenyl]-2,3-dihydroxypropanamide?
The InChIKey is BUKWKRLJXNRICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO4/c11-10(12)17-6-4-2-1-3-5(6)7(14)8(15)9(13)16/h1-4,7-8,10,14-15H,(H2,13,16).
What are the key properties of 3-[2-(difluoromethoxy)phenyl]-2,3-dihydroxypropanamide?
3-[2-(difluoromethoxy)phenyl]-2,3-dihydroxypropanamide has a molecular weight of 247.20 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethoxy)phenyl]-2,3-dihydroxypropanamide is sourced from PubChem (CID 171868513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).