(3R)-2-(5-bromo-2-fluorophenyl)-3-fluoro-4-hydroxybutanamide

C10H10BrF2NO2 — CID 71008837

IUPAC(3R)-2-(5-bromo-2-fluorophenyl)-3-fluoro-4-hydroxybutanamide
SMILESNC(=O)C(c1cc(Br)ccc1F)[C@@H](F)CO
InChIInChI=1S/C10H10BrF2NO2/c11-5-1-2-7(12)6(3-5)9(10(14)16)8(13)4-15/h1-3,8-9,15H,4H2,(H2,14,16)/t8-,9?/m0/s1
InChIKeyBKAUTINHUNNEOV-IENPIDJESA-N
MW294.10 g/mol
LogP1.49
Rot. Bonds4

About (3R)-2-(5-bromo-2-fluorophenyl)-3-fluoro-4-hydroxybutanamide

(3R)-2-(5-bromo-2-fluorophenyl)-3-fluoro-4-hydroxybutanamide (PubChem CID 71008837) has the molecular formula C10H10BrF2NO2 and a molecular weight of 294.10 g/mol. Its IUPAC name is (3R)-2-(5-bromo-2-fluorophenyl)-3-fluoro-4-hydroxybutanamide.

Molecular Properties

Compound Name(3R)-2-(5-bromo-2-fluorophenyl)-3-fluoro-4-hydroxybutanamide
PubChem CID71008837
Molecular FormulaC10H10BrF2NO2
Molecular Weight294.10 g/mol
Exact Mass292.99
IUPAC Name(3R)-2-(5-bromo-2-fluorophenyl)-3-fluoro-4-hydroxybutanamide
SMILESNC(=O)C(c1cc(Br)ccc1F)[C@@H](F)CO
InChIInChI=1S/C10H10BrF2NO2/c11-5-1-2-7(12)6(3-5)9(10(14)16)8(13)4-15/h1-3,8-9,15H,4H2,(H2,14,16)/t8-,9?/m0/s1
InChIKeyBKAUTINHUNNEOV-IENPIDJESA-N
XLogP1.49
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.10
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-(5-bromo-2-fluorophenyl)-3-fluoro-4-hydroxybutanamide?
The IUPAC name of (3R)-2-(5-bromo-2-fluorophenyl)-3-fluoro-4-hydroxybutanamide (CID 71008837) is (3R)-2-(5-bromo-2-fluorophenyl)-3-fluoro-4-hydroxybutanamide.
What is the SMILES notation for (3R)-2-(5-bromo-2-fluorophenyl)-3-fluoro-4-hydroxybutanamide?
The canonical SMILES for (3R)-2-(5-bromo-2-fluorophenyl)-3-fluoro-4-hydroxybutanamide is NC(=O)C(c1cc(Br)ccc1F)[C@@H](F)CO.
What is the InChIKey of (3R)-2-(5-bromo-2-fluorophenyl)-3-fluoro-4-hydroxybutanamide?
The InChIKey is BKAUTINHUNNEOV-IENPIDJESA-N. The full InChI is InChI=1S/C10H10BrF2NO2/c11-5-1-2-7(12)6(3-5)9(10(14)16)8(13)4-15/h1-3,8-9,15H,4H2,(H2,14,16)/t8-,9?/m0/s1.
What are the key properties of (3R)-2-(5-bromo-2-fluorophenyl)-3-fluoro-4-hydroxybutanamide?
(3R)-2-(5-bromo-2-fluorophenyl)-3-fluoro-4-hydroxybutanamide has a molecular weight of 294.10 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(5-bromo-2-fluorophenyl)-3-fluoro-4-hydroxybutanamide is sourced from PubChem (CID 71008837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).