4-(3-bromo-5-fluorophenyl)-3,4-dihydroxybutanamide

C10H11BrFNO3 — CID 171900262

IUPAC4-(3-bromo-5-fluorophenyl)-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1cc(F)cc(Br)c1
InChIInChI=1S/C10H11BrFNO3/c11-6-1-5(2-7(12)3-6)10(16)8(14)4-9(13)15/h1-3,8,10,14,16H,4H2,(H2,13,15)
InChIKeyOSYZWWVKYKGJJB-UHFFFAOYSA-N
MW292.10 g/mol
LogP0.86
Rot. Bonds4

About 4-(3-bromo-5-fluorophenyl)-3,4-dihydroxybutanamide

4-(3-bromo-5-fluorophenyl)-3,4-dihydroxybutanamide (PubChem CID 171900262) has the molecular formula C10H11BrFNO3 and a molecular weight of 292.10 g/mol. Its IUPAC name is 4-(3-bromo-5-fluorophenyl)-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-(3-bromo-5-fluorophenyl)-3,4-dihydroxybutanamide
PubChem CID171900262
Molecular FormulaC10H11BrFNO3
Molecular Weight292.10 g/mol
Exact Mass290.99
IUPAC Name4-(3-bromo-5-fluorophenyl)-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1cc(F)cc(Br)c1
InChIInChI=1S/C10H11BrFNO3/c11-6-1-5(2-7(12)3-6)10(16)8(14)4-9(13)15/h1-3,8,10,14,16H,4H2,(H2,13,15)
InChIKeyOSYZWWVKYKGJJB-UHFFFAOYSA-N
XLogP0.86
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.10
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-amino-1,2-dihydroxy-4-oxobutyl)-5-fluorobenzoic acid
CID 171899448
4-(4-bromophenyl)-3,4-dihydroxybutanamide
CID 171900225
2-amino-3-(3-bromo-5-fluorophenyl)-3-hydroxypropanoic acid
CID 130641311
4-(2-bromo-4,6-difluorophenyl)-3,4-dihydroxybutanamide
CID 171900289
ethyl 4-(3,5-difluorophenyl)-3,4-dihydroxybutanoate
CID 171896963
4-(4-amino-3,5-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171899224
3-amino-1-(3-bromo-5-fluorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525918
3,4-dihydroxy-4-phenylbutanamide
CID 171898569
4-[4-(bromomethyl)phenyl]-3,4-dihydroxybutanamide
CID 171900239
4-(3-aminophenyl)-3,4-dihydroxybutanamide
CID 171898668
4-[4-(aminomethyl)-3-fluorophenyl]-3,4-dihydroxybutanamide
CID 171899204
(2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol
CID 66514747

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-fluorophenyl)-3,4-dihydroxybutanamide?
The IUPAC name of 4-(3-bromo-5-fluorophenyl)-3,4-dihydroxybutanamide (CID 171900262) is 4-(3-bromo-5-fluorophenyl)-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-(3-bromo-5-fluorophenyl)-3,4-dihydroxybutanamide?
The canonical SMILES for 4-(3-bromo-5-fluorophenyl)-3,4-dihydroxybutanamide is NC(=O)CC(O)C(O)c1cc(F)cc(Br)c1.
What is the InChIKey of 4-(3-bromo-5-fluorophenyl)-3,4-dihydroxybutanamide?
The InChIKey is OSYZWWVKYKGJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO3/c11-6-1-5(2-7(12)3-6)10(16)8(14)4-9(13)15/h1-3,8,10,14,16H,4H2,(H2,13,15).
What are the key properties of 4-(3-bromo-5-fluorophenyl)-3,4-dihydroxybutanamide?
4-(3-bromo-5-fluorophenyl)-3,4-dihydroxybutanamide has a molecular weight of 292.10 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-fluorophenyl)-3,4-dihydroxybutanamide is sourced from PubChem (CID 171900262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).