3-(2,6-dibromo-4-fluorophenyl)-2,3-dihydroxypropanamide

C9H8Br2FNO3 — CID 171869280

IUPAC3-(2,6-dibromo-4-fluorophenyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1c(Br)cc(F)cc1Br
InChIInChI=1S/C9H8Br2FNO3/c10-4-1-3(12)2-5(11)6(4)7(14)8(15)9(13)16/h1-2,7-8,14-15H,(H2,13,16)
InChIKeyMIQDXJWVTMGOGE-UHFFFAOYSA-N
MW356.97 g/mol
LogP1.23
Rot. Bonds3

About 3-(2,6-dibromo-4-fluorophenyl)-2,3-dihydroxypropanamide

3-(2,6-dibromo-4-fluorophenyl)-2,3-dihydroxypropanamide (PubChem CID 171869280) has the molecular formula C9H8Br2FNO3 and a molecular weight of 356.97 g/mol. Its IUPAC name is 3-(2,6-dibromo-4-fluorophenyl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(2,6-dibromo-4-fluorophenyl)-2,3-dihydroxypropanamide
PubChem CID171869280
Molecular FormulaC9H8Br2FNO3
Molecular Weight356.97 g/mol
Exact Mass354.89
IUPAC Name3-(2,6-dibromo-4-fluorophenyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1c(Br)cc(F)cc1Br
InChIInChI=1S/C9H8Br2FNO3/c10-4-1-3(12)2-5(11)6(4)7(14)8(15)9(13)16/h1-2,7-8,14-15H,(H2,13,16)
InChIKeyMIQDXJWVTMGOGE-UHFFFAOYSA-N
XLogP1.23
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.97
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromo-4,6-difluorophenyl)-3,4-dihydroxybutanamide
CID 171900289
ethyl 4-(2,6-dibromo-4-fluorophenyl)-3,4-dihydroxybutanoate
CID 171898499
2,3-dihydroxy-3-(2,3,6-trifluorophenyl)propanamide
CID 171867982
4-bromo-1-(2,6-dibromo-4-fluorophenyl)butane-1,2-diol
CID 171893126
S-[4-(2,6-dibromo-4-fluorophenyl)-3,4-dihydroxybutyl] ethanethioate
CID 171877001
2-bromo-3-(2-bromo-6-chloro-4-fluorophenyl)propanamide
CID 107616981
3-(4-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171867767
3-(4-amino-3-bromophenyl)-2,3-dihydroxypropanamide
CID 171869258
3-(2-amino-5-fluorophenyl)-2,3-dihydroxypropanamide
CID 171867868
3-(2,5-dichloro-3-fluorophenyl)-2,3-dihydroxypropanamide
CID 171867980
2,3-dibromo-5-fluorobenzamide
CID 119023969
2-(2-bromo-6-chloro-4-fluoroanilino)propanamide
CID 107611552

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dibromo-4-fluorophenyl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(2,6-dibromo-4-fluorophenyl)-2,3-dihydroxypropanamide (CID 171869280) is 3-(2,6-dibromo-4-fluorophenyl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(2,6-dibromo-4-fluorophenyl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(2,6-dibromo-4-fluorophenyl)-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1c(Br)cc(F)cc1Br.
What is the InChIKey of 3-(2,6-dibromo-4-fluorophenyl)-2,3-dihydroxypropanamide?
The InChIKey is MIQDXJWVTMGOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2FNO3/c10-4-1-3(12)2-5(11)6(4)7(14)8(15)9(13)16/h1-2,7-8,14-15H,(H2,13,16).
What are the key properties of 3-(2,6-dibromo-4-fluorophenyl)-2,3-dihydroxypropanamide?
3-(2,6-dibromo-4-fluorophenyl)-2,3-dihydroxypropanamide has a molecular weight of 356.97 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dibromo-4-fluorophenyl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171869280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).