N-(2-bromo-4-pyridinyl)-2-hydroxy-2-phenylpropanamide

C14H13BrN2O2 — CID 71558082

IUPACN-(2-bromo-4-pyridinyl)-2-hydroxy-2-phenylpropanamide
SMILESCC(O)(C(=O)Nc1ccnc(Br)c1)c1ccccc1
InChIInChI=1S/C14H13BrN2O2/c1-14(19,10-5-3-2-4-6-10)13(18)17-11-7-8-16-12(15)9-11/h2-9,19H,1H3,(H,16,17,18)
InChIKeyYNIIYSLXPVPOPP-UHFFFAOYSA-N
MW321.17 g/mol
LogP2.69
Rot. Bonds3

About N-(2-bromo-4-pyridinyl)-2-hydroxy-2-phenylpropanamide

N-(2-bromo-4-pyridinyl)-2-hydroxy-2-phenylpropanamide (PubChem CID 71558082) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is N-(2-bromo-4-pyridinyl)-2-hydroxy-2-phenylpropanamide.

Molecular Properties

Compound NameN-(2-bromo-4-pyridinyl)-2-hydroxy-2-phenylpropanamide
PubChem CID71558082
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC NameN-(2-bromo-4-pyridinyl)-2-hydroxy-2-phenylpropanamide
SMILESCC(O)(C(=O)Nc1ccnc(Br)c1)c1ccccc1
InChIInChI=1S/C14H13BrN2O2/c1-14(19,10-5-3-2-4-6-10)13(18)17-11-7-8-16-12(15)9-11/h2-9,19H,1H3,(H,16,17,18)
InChIKeyYNIIYSLXPVPOPP-UHFFFAOYSA-N
XLogP2.69
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 52.69
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-hydroxy-2-phenylpropanamide?
The IUPAC name of N-(2-bromo-4-pyridinyl)-2-hydroxy-2-phenylpropanamide (CID 71558082) is N-(2-bromo-4-pyridinyl)-2-hydroxy-2-phenylpropanamide.
What is the SMILES notation for N-(2-bromo-4-pyridinyl)-2-hydroxy-2-phenylpropanamide?
The canonical SMILES for N-(2-bromo-4-pyridinyl)-2-hydroxy-2-phenylpropanamide is CC(O)(C(=O)Nc1ccnc(Br)c1)c1ccccc1.
What is the InChIKey of N-(2-bromo-4-pyridinyl)-2-hydroxy-2-phenylpropanamide?
The InChIKey is YNIIYSLXPVPOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-14(19,10-5-3-2-4-6-10)13(18)17-11-7-8-16-12(15)9-11/h2-9,19H,1H3,(H,16,17,18).
What are the key properties of N-(2-bromo-4-pyridinyl)-2-hydroxy-2-phenylpropanamide?
N-(2-bromo-4-pyridinyl)-2-hydroxy-2-phenylpropanamide has a molecular weight of 321.17 g/mol, XLogP of 2.69, 3 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-hydroxy-2-phenylpropanamide is sourced from PubChem (CID 71558082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).