3-amino-5-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide

C13H9F4N3O — CID 82792233

IUPAC3-amino-5-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESNc1cc(F)cc(C(=O)Nc2ccc(C(F)(F)F)nc2)c1
InChIInChI=1S/C13H9F4N3O/c14-8-3-7(4-9(18)5-8)12(21)20-10-1-2-11(19-6-10)13(15,16)17/h1-6H,18H2,(H,20,21)
InChIKeyQCRXWXHXAQOUOU-UHFFFAOYSA-N
MW299.23 g/mol
LogP3.07
Rot. Bonds2

About 3-amino-5-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide

3-amino-5-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide (PubChem CID 82792233) has the molecular formula C13H9F4N3O and a molecular weight of 299.23 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
PubChem CID82792233
Molecular FormulaC13H9F4N3O
Molecular Weight299.23 g/mol
Exact Mass299.07
IUPAC Name3-amino-5-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESNc1cc(F)cc(C(=O)Nc2ccc(C(F)(F)F)nc2)c1
InChIInChI=1S/C13H9F4N3O/c14-8-3-7(4-9(18)5-8)12(21)20-10-1-2-11(19-6-10)13(15,16)17/h1-6H,18H2,(H,20,21)
InChIKeyQCRXWXHXAQOUOU-UHFFFAOYSA-N
XLogP3.07
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(6-bromo-3-pyridinyl)-5-fluorobenzamide
CID 114051412
6-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 82707407
4-fluoro-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 107033712
3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 107033720
5-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]thiophene-3-carboxamide
CID 82706170
4-bromo-3-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 103957726
N-(3-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 24685793
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
3-(4-fluoroanilino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 122516055
N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-b]pyrazine-7-carboxamide
CID 166212260
3,5-diamino-N-(3,5-difluorophenyl)benzamide
CID 61091904
N-(2,4-difluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33164256

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide?
The IUPAC name of 3-amino-5-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide (CID 82792233) is 3-amino-5-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 3-amino-5-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide?
The canonical SMILES for 3-amino-5-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide is Nc1cc(F)cc(C(=O)Nc2ccc(C(F)(F)F)nc2)c1.
What is the InChIKey of 3-amino-5-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide?
The InChIKey is QCRXWXHXAQOUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4N3O/c14-8-3-7(4-9(18)5-8)12(21)20-10-1-2-11(19-6-10)13(15,16)17/h1-6H,18H2,(H,20,21).
What are the key properties of 3-amino-5-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide?
3-amino-5-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide has a molecular weight of 299.23 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 82792233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).