2-fluoro-N-(3-formyl-2-pyridinyl)-5-(trifluoromethyl)benzamide

C14H8F4N2O2 — CID 173323900

IUPAC2-fluoro-N-(3-formyl-2-pyridinyl)-5-(trifluoromethyl)benzamide
SMILESO=Cc1cccnc1NC(=O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C14H8F4N2O2/c15-11-4-3-9(14(16,17)18)6-10(11)13(22)20-12-8(7-21)2-1-5-19-12/h1-7H,(H,19,20,22)
InChIKeyAVCACZJLCAQIRO-UHFFFAOYSA-N
MW312.22 g/mol
LogP3.30
Rot. Bonds3

About 2-fluoro-N-(3-formyl-2-pyridinyl)-5-(trifluoromethyl)benzamide

2-fluoro-N-(3-formyl-2-pyridinyl)-5-(trifluoromethyl)benzamide (PubChem CID 173323900) has the molecular formula C14H8F4N2O2 and a molecular weight of 312.22 g/mol. Its IUPAC name is 2-fluoro-N-(3-formyl-2-pyridinyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-formyl-2-pyridinyl)-5-(trifluoromethyl)benzamide
PubChem CID173323900
Molecular FormulaC14H8F4N2O2
Molecular Weight312.22 g/mol
Exact Mass312.05
IUPAC Name2-fluoro-N-(3-formyl-2-pyridinyl)-5-(trifluoromethyl)benzamide
SMILESO=Cc1cccnc1NC(=O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C14H8F4N2O2/c15-11-4-3-9(14(16,17)18)6-10(11)13(22)20-12-8(7-21)2-1-5-19-12/h1-7H,(H,19,20,22)
InChIKeyAVCACZJLCAQIRO-UHFFFAOYSA-N
XLogP3.30
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2-pyridinyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 103943594
2-fluoro-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-5-(trifluoromethyl)benzamide
CID 138989555
2-fluoro-N-(3-fluoro-4-pyridinyl)-5-(trifluoromethyl)benzamide
CID 103874425
2-bromo-N-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)benzamide
CID 103943464
N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 1263788
2-bromo-N-(2-bromo-3-pyridinyl)-5-(trifluoromethyl)benzamide
CID 103819418
2-fluoro-N-[2-fluoro-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-5-(trifluoromethyl)benzamide
CID 121264642
2-fluoro-N-(4-quinolin-4-yloxyphenyl)-5-(trifluoromethyl)benzamide
CID 53329942
2-fluoro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)benzamide
CID 18712129
2-fluoro-N-(3-methylbut-2-enyl)-5-(trifluoromethyl)benzamide
CID 103528233
2-fluoro-N-[4-methyl-3-[2-(methylamino)quinazolin-6-yl]phenyl]-5-(trifluoromethyl)benzamide
CID 58829062
tert-butyl 2-[[4-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylate
CID 172846856

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-formyl-2-pyridinyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-(3-formyl-2-pyridinyl)-5-(trifluoromethyl)benzamide (CID 173323900) is 2-fluoro-N-(3-formyl-2-pyridinyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(3-formyl-2-pyridinyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(3-formyl-2-pyridinyl)-5-(trifluoromethyl)benzamide is O=Cc1cccnc1NC(=O)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-fluoro-N-(3-formyl-2-pyridinyl)-5-(trifluoromethyl)benzamide?
The InChIKey is AVCACZJLCAQIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N2O2/c15-11-4-3-9(14(16,17)18)6-10(11)13(22)20-12-8(7-21)2-1-5-19-12/h1-7H,(H,19,20,22).
What are the key properties of 2-fluoro-N-(3-formyl-2-pyridinyl)-5-(trifluoromethyl)benzamide?
2-fluoro-N-(3-formyl-2-pyridinyl)-5-(trifluoromethyl)benzamide has a molecular weight of 312.22 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-formyl-2-pyridinyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 173323900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).