3-(3-amino-4-fluorophenyl)-2,3-dihydroxypropanamide

C9H11FN2O3 — CID 171867878

IUPAC3-(3-amino-4-fluorophenyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1ccc(F)c(N)c1
InChIInChI=1S/C9H11FN2O3/c10-5-2-1-4(3-6(5)11)7(13)8(14)9(12)15/h1-3,7-8,13-14H,11H2,(H2,12,15)
InChIKeyKUGKHSLDUMRUEJ-UHFFFAOYSA-N
MW214.20 g/mol
LogP-0.71
Rot. Bonds3

About 3-(3-amino-4-fluorophenyl)-2,3-dihydroxypropanamide

3-(3-amino-4-fluorophenyl)-2,3-dihydroxypropanamide (PubChem CID 171867878) has the molecular formula C9H11FN2O3 and a molecular weight of 214.20 g/mol. Its IUPAC name is 3-(3-amino-4-fluorophenyl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(3-amino-4-fluorophenyl)-2,3-dihydroxypropanamide
PubChem CID171867878
Molecular FormulaC9H11FN2O3
Molecular Weight214.20 g/mol
Exact Mass214.08
IUPAC Name3-(3-amino-4-fluorophenyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1ccc(F)c(N)c1
InChIInChI=1S/C9H11FN2O3/c10-5-2-1-4(3-6(5)11)7(13)8(14)9(12)15/h1-3,7-8,13-14H,11H2,(H2,12,15)
InChIKeyKUGKHSLDUMRUEJ-UHFFFAOYSA-N
XLogP-0.71
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-amino-3-bromophenyl)-2,3-dihydroxypropanamide
CID 171869258
1-(3-amino-4-fluorophenyl)butane-1,2,4-triol
CID 171872014
(1S)-1-(3-amino-4-fluorophenyl)ethanol
CID 70331602
(1S,2S)-2-amino-1-(3-amino-4-fluorophenyl)butan-1-ol
CID 131049371
methyl 2-amino-5-(3-amino-1,2-dihydroxy-3-oxopropyl)benzoate
CID 171868834
2,3-dihydroxy-3-(2,3,6-trifluorophenyl)propanamide
CID 171867982
2-(3-amino-4-fluorophenyl)-2-chloroethanethioic S-acid
CID 21276588
3-(2-amino-5-fluorophenyl)-2,3-dihydroxypropanamide
CID 171867868
2,3-dihydroxy-3-(4-methylphenyl)propanamide
CID 171867589
(3-amino-4-fluorophenyl)-methoxymethanol
CID 123185481
3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171868435
methyl 3-(3,4-difluorophenyl)-2,3-dihydroxypropanoate
CID 171863651

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-fluorophenyl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(3-amino-4-fluorophenyl)-2,3-dihydroxypropanamide (CID 171867878) is 3-(3-amino-4-fluorophenyl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(3-amino-4-fluorophenyl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(3-amino-4-fluorophenyl)-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1ccc(F)c(N)c1.
What is the InChIKey of 3-(3-amino-4-fluorophenyl)-2,3-dihydroxypropanamide?
The InChIKey is KUGKHSLDUMRUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O3/c10-5-2-1-4(3-6(5)11)7(13)8(14)9(12)15/h1-3,7-8,13-14H,11H2,(H2,12,15).
What are the key properties of 3-(3-amino-4-fluorophenyl)-2,3-dihydroxypropanamide?
3-(3-amino-4-fluorophenyl)-2,3-dihydroxypropanamide has a molecular weight of 214.20 g/mol, XLogP of -0.71, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-fluorophenyl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171867878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).