N-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)benzamide

C13H8F4N2O — CID 103789776

IUPACN-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(F)nc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H8F4N2O/c14-11-6-5-10(7-18-11)19-12(20)8-1-3-9(4-2-8)13(15,16)17/h1-7H,(H,19,20)
InChIKeyLNPOHWYYIBYKQN-UHFFFAOYSA-N
MW284.21 g/mol
LogP3.49
Rot. Bonds2

About N-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)benzamide

N-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)benzamide (PubChem CID 103789776) has the molecular formula C13H8F4N2O and a molecular weight of 284.21 g/mol. Its IUPAC name is N-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)benzamide
PubChem CID103789776
Molecular FormulaC13H8F4N2O
Molecular Weight284.21 g/mol
Exact Mass284.06
IUPAC NameN-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(F)nc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H8F4N2O/c14-11-6-5-10(7-18-11)19-12(20)8-1-3-9(4-2-8)13(15,16)17/h1-7H,(H,19,20)
InChIKeyLNPOHWYYIBYKQN-UHFFFAOYSA-N
XLogP3.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 82707407
N-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)benzamide
CID 3719290
2-bromo-N-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)benzamide
CID 103819052
N-[6-(4-acetylanilino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113020429
3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzamide
CID 103789803
5,6-difluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide
CID 12987868
N-(6-fluoro-3-pyridinyl)thiophene-3-carboxamide
CID 103789756
4-amino-N-(6-fluoro-3-pyridinyl)-3-hydroxybenzamide
CID 114052645
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113012936
N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113013624
N-(2-imidazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 121112592

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)benzamide (CID 103789776) is N-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)benzamide is O=C(Nc1ccc(F)nc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)benzamide?
The InChIKey is LNPOHWYYIBYKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4N2O/c14-11-6-5-10(7-18-11)19-12(20)8-1-3-9(4-2-8)13(15,16)17/h1-7H,(H,19,20).
What are the key properties of N-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)benzamide?
N-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)benzamide has a molecular weight of 284.21 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 103789776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).