N-(6-chloro-2-pyridinyl)-2-fluoro-N-methyl-2-phenylpropanamide

C15H14ClFN2O — CID 167903415

IUPACN-(6-chloro-2-pyridinyl)-2-fluoro-N-methyl-2-phenylpropanamide
SMILESCN(C(=O)C(C)(F)c1ccccc1)c1cccc(Cl)n1
InChIInChI=1S/C15H14ClFN2O/c1-15(17,11-7-4-3-5-8-11)14(20)19(2)13-10-6-9-12(16)18-13/h3-10H,1-2H3
InChIKeyXUJWNPHAZMAFPS-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.58
Rot. Bonds3

About N-(6-chloro-2-pyridinyl)-2-fluoro-N-methyl-2-phenylpropanamide

N-(6-chloro-2-pyridinyl)-2-fluoro-N-methyl-2-phenylpropanamide (PubChem CID 167903415) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-2-fluoro-N-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-2-fluoro-N-methyl-2-phenylpropanamide
PubChem CID167903415
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC NameN-(6-chloro-2-pyridinyl)-2-fluoro-N-methyl-2-phenylpropanamide
SMILESCN(C(=O)C(C)(F)c1ccccc1)c1cccc(Cl)n1
InChIInChI=1S/C15H14ClFN2O/c1-15(17,11-7-4-3-5-8-11)14(20)19(2)13-10-6-9-12(16)18-13/h3-10H,1-2H3
InChIKeyXUJWNPHAZMAFPS-UHFFFAOYSA-N
XLogP3.58
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(6-chloro-2-pyridinyl)-2-fluoro-N-methyl-2-phenylpropanamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)-2-fluoro-N-methyl-2-phenylpropanamide (CID 167903415) is N-(6-chloro-2-pyridinyl)-2-fluoro-N-methyl-2-phenylpropanamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-2-fluoro-N-methyl-2-phenylpropanamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-2-fluoro-N-methyl-2-phenylpropanamide is CN(C(=O)C(C)(F)c1ccccc1)c1cccc(Cl)n1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-2-fluoro-N-methyl-2-phenylpropanamide?
The InChIKey is XUJWNPHAZMAFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-15(17,11-7-4-3-5-8-11)14(20)19(2)13-10-6-9-12(16)18-13/h3-10H,1-2H3.
What are the key properties of N-(6-chloro-2-pyridinyl)-2-fluoro-N-methyl-2-phenylpropanamide?
N-(6-chloro-2-pyridinyl)-2-fluoro-N-methyl-2-phenylpropanamide has a molecular weight of 292.74 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-2-fluoro-N-methyl-2-phenylpropanamide is sourced from PubChem (CID 167903415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).