N-(2-bromo-4-pyridinyl)-2-(4-fluorophenyl)-2-hydroxybutanamide

C15H14BrFN2O2 — CID 71558391

IUPACN-(2-bromo-4-pyridinyl)-2-(4-fluorophenyl)-2-hydroxybutanamide
SMILESCCC(O)(C(=O)Nc1ccnc(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C15H14BrFN2O2/c1-2-15(21,10-3-5-11(17)6-4-10)14(20)19-12-7-8-18-13(16)9-12/h3-9,21H,2H2,1H3,(H,18,19,20)
InChIKeyJAUKIQVVOKLMQX-UHFFFAOYSA-N
MW353.19 g/mol
LogP3.22
Rot. Bonds4

About N-(2-bromo-4-pyridinyl)-2-(4-fluorophenyl)-2-hydroxybutanamide

N-(2-bromo-4-pyridinyl)-2-(4-fluorophenyl)-2-hydroxybutanamide (PubChem CID 71558391) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is N-(2-bromo-4-pyridinyl)-2-(4-fluorophenyl)-2-hydroxybutanamide.

Molecular Properties

Compound NameN-(2-bromo-4-pyridinyl)-2-(4-fluorophenyl)-2-hydroxybutanamide
PubChem CID71558391
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC NameN-(2-bromo-4-pyridinyl)-2-(4-fluorophenyl)-2-hydroxybutanamide
SMILESCCC(O)(C(=O)Nc1ccnc(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C15H14BrFN2O2/c1-2-15(21,10-3-5-11(17)6-4-10)14(20)19-12-7-8-18-13(16)9-12/h3-9,21H,2H2,1H3,(H,18,19,20)
InChIKeyJAUKIQVVOKLMQX-UHFFFAOYSA-N
XLogP3.22
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-pyridinyl)-2-(4-fluorophenyl)-2-hydroxybutanamide?
The IUPAC name of N-(2-bromo-4-pyridinyl)-2-(4-fluorophenyl)-2-hydroxybutanamide (CID 71558391) is N-(2-bromo-4-pyridinyl)-2-(4-fluorophenyl)-2-hydroxybutanamide.
What is the SMILES notation for N-(2-bromo-4-pyridinyl)-2-(4-fluorophenyl)-2-hydroxybutanamide?
The canonical SMILES for N-(2-bromo-4-pyridinyl)-2-(4-fluorophenyl)-2-hydroxybutanamide is CCC(O)(C(=O)Nc1ccnc(Br)c1)c1ccc(F)cc1.
What is the InChIKey of N-(2-bromo-4-pyridinyl)-2-(4-fluorophenyl)-2-hydroxybutanamide?
The InChIKey is JAUKIQVVOKLMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c1-2-15(21,10-3-5-11(17)6-4-10)14(20)19-12-7-8-18-13(16)9-12/h3-9,21H,2H2,1H3,(H,18,19,20).
What are the key properties of N-(2-bromo-4-pyridinyl)-2-(4-fluorophenyl)-2-hydroxybutanamide?
N-(2-bromo-4-pyridinyl)-2-(4-fluorophenyl)-2-hydroxybutanamide has a molecular weight of 353.19 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-pyridinyl)-2-(4-fluorophenyl)-2-hydroxybutanamide is sourced from PubChem (CID 71558391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).