4-(2-bromo-4,6-difluorophenyl)-3,4-dihydroxybutanamide

C10H10BrF2NO3 — CID 171900289

IUPAC4-(2-bromo-4,6-difluorophenyl)-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C10H10BrF2NO3/c11-5-1-4(12)2-6(13)9(5)10(17)7(15)3-8(14)16/h1-2,7,10,15,17H,3H2,(H2,14,16)
InChIKeyAIDDBUXDOBJOCM-UHFFFAOYSA-N
MW310.09 g/mol
LogP1.00
Rot. Bonds4

About 4-(2-bromo-4,6-difluorophenyl)-3,4-dihydroxybutanamide

4-(2-bromo-4,6-difluorophenyl)-3,4-dihydroxybutanamide (PubChem CID 171900289) has the molecular formula C10H10BrF2NO3 and a molecular weight of 310.09 g/mol. Its IUPAC name is 4-(2-bromo-4,6-difluorophenyl)-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-(2-bromo-4,6-difluorophenyl)-3,4-dihydroxybutanamide
PubChem CID171900289
Molecular FormulaC10H10BrF2NO3
Molecular Weight310.09 g/mol
Exact Mass308.98
IUPAC Name4-(2-bromo-4,6-difluorophenyl)-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C10H10BrF2NO3/c11-5-1-4(12)2-6(13)9(5)10(17)7(15)3-8(14)16/h1-2,7,10,15,17H,3H2,(H2,14,16)
InChIKeyAIDDBUXDOBJOCM-UHFFFAOYSA-N
XLogP1.00
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.09
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(2,6-dibromo-4-fluorophenyl)-3,4-dihydroxybutanoate
CID 171898499
4-(3-bromo-5-fluorophenyl)-3,4-dihydroxybutanamide
CID 171900262
3-azido-1-(2-bromo-4,6-difluorophenyl)propane-1,2-diol
CID 170827136
3-(2,4,6-trifluorophenyl)butanamide
CID 164885056
3-(2,6-dibromo-4-fluorophenyl)-2,3-dihydroxypropanamide
CID 171869280
methyl 4-(2,4-dibromo-6-fluorophenyl)-3,4-dihydroxybutanoate
CID 171896706
4-(4-bromo-2,6-difluorophenyl)-3,4-dihydroxybutanoic acid
CID 171878788
S-[4-(2,6-dibromo-4-fluorophenyl)-3,4-dihydroxybutyl] ethanethioate
CID 171877001
4-bromo-1-(2,6-dibromo-4-fluorophenyl)butane-1,2-diol
CID 171893126
3-(4-amino-1,2-dihydroxy-4-oxobutyl)-5-fluorobenzoic acid
CID 171899448
4-(2-bromo-4-chlorophenyl)-3,4-dihydroxybutanamide
CID 171900253
ethyl 4-(4-fluoro-2,6-dimethylphenyl)-3,4-dihydroxybutanoate
CID 171897215

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4,6-difluorophenyl)-3,4-dihydroxybutanamide?
The IUPAC name of 4-(2-bromo-4,6-difluorophenyl)-3,4-dihydroxybutanamide (CID 171900289) is 4-(2-bromo-4,6-difluorophenyl)-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-(2-bromo-4,6-difluorophenyl)-3,4-dihydroxybutanamide?
The canonical SMILES for 4-(2-bromo-4,6-difluorophenyl)-3,4-dihydroxybutanamide is NC(=O)CC(O)C(O)c1c(F)cc(F)cc1Br.
What is the InChIKey of 4-(2-bromo-4,6-difluorophenyl)-3,4-dihydroxybutanamide?
The InChIKey is AIDDBUXDOBJOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO3/c11-5-1-4(12)2-6(13)9(5)10(17)7(15)3-8(14)16/h1-2,7,10,15,17H,3H2,(H2,14,16).
What are the key properties of 4-(2-bromo-4,6-difluorophenyl)-3,4-dihydroxybutanamide?
4-(2-bromo-4,6-difluorophenyl)-3,4-dihydroxybutanamide has a molecular weight of 310.09 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4,6-difluorophenyl)-3,4-dihydroxybutanamide is sourced from PubChem (CID 171900289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).