N-(5-amino-6-fluoro-3-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]acetamide

C14H11F4N3O2 — CID 177311596

IUPACN-(5-amino-6-fluoro-3-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESNc1cc(NC(=O)Cc2ccc(OC(F)(F)F)cc2)cnc1F
InChIInChI=1S/C14H11F4N3O2/c15-13-11(19)6-9(7-20-13)21-12(22)5-8-1-3-10(4-2-8)23-14(16,17)18/h1-4,6-7H,5,19H2,(H,21,22)
InChIKeyQMFCWWFZNCDYDM-UHFFFAOYSA-N
MW329.25 g/mol
LogP2.88
Rot. Bonds4

About N-(5-amino-6-fluoro-3-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]acetamide

N-(5-amino-6-fluoro-3-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 177311596) has the molecular formula C14H11F4N3O2 and a molecular weight of 329.25 g/mol. Its IUPAC name is N-(5-amino-6-fluoro-3-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-(5-amino-6-fluoro-3-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID177311596
Molecular FormulaC14H11F4N3O2
Molecular Weight329.25 g/mol
Exact Mass329.08
IUPAC NameN-(5-amino-6-fluoro-3-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESNc1cc(NC(=O)Cc2ccc(OC(F)(F)F)cc2)cnc1F
InChIInChI=1S/C14H11F4N3O2/c15-13-11(19)6-9(7-20-13)21-12(22)5-8-1-3-10(4-2-8)23-14(16,17)18/h1-4,6-7H,5,19H2,(H,21,22)
InChIKeyQMFCWWFZNCDYDM-UHFFFAOYSA-N
XLogP2.88
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(5-amino-6-fluoro-3-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-(5-amino-6-fluoro-3-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 177311596) is N-(5-amino-6-fluoro-3-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-(5-amino-6-fluoro-3-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-(5-amino-6-fluoro-3-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]acetamide is Nc1cc(NC(=O)Cc2ccc(OC(F)(F)F)cc2)cnc1F.
What is the InChIKey of N-(5-amino-6-fluoro-3-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is QMFCWWFZNCDYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4N3O2/c15-13-11(19)6-9(7-20-13)21-12(22)5-8-1-3-10(4-2-8)23-14(16,17)18/h1-4,6-7H,5,19H2,(H,21,22).
What are the key properties of N-(5-amino-6-fluoro-3-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
N-(5-amino-6-fluoro-3-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 329.25 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-6-fluoro-3-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 177311596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).