N-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(oxidoamino)-2-pyridinyl]acetamide

C14H10F4N3O2- — CID 169022925

IUPACN-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(oxidoamino)-2-pyridinyl]acetamide
SMILESCC(=O)N(c1cc(N[O-])ccn1)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C14H10F4N3O2/c1-8(22)21(13-7-10(20-23)4-5-19-13)12-3-2-9(6-11(12)15)14(16,17)18/h2-7H,1H3,(H-,19,20,23)/q-1
InChIKeyANBBQZDCEUBQNR-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.83
Rot. Bonds3

About N-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(oxidoamino)-2-pyridinyl]acetamide

N-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(oxidoamino)-2-pyridinyl]acetamide (PubChem CID 169022925) has the molecular formula C14H10F4N3O2- and a molecular weight of 328.25 g/mol. Its IUPAC name is N-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(oxidoamino)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(oxidoamino)-2-pyridinyl]acetamide
PubChem CID169022925
Molecular FormulaC14H10F4N3O2-
Molecular Weight328.25 g/mol
Exact Mass328.07
IUPAC NameN-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(oxidoamino)-2-pyridinyl]acetamide
SMILESCC(=O)N(c1cc(N[O-])ccn1)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C14H10F4N3O2/c1-8(22)21(13-7-10(20-23)4-5-19-13)12-3-2-9(6-11(12)15)14(16,17)18/h2-7H,1H3,(H-,19,20,23)/q-1
InChIKeyANBBQZDCEUBQNR-UHFFFAOYSA-N
XLogP3.83
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-4-[3-(trifluoromethyl)pyridin-2-yl]tetrahydropyrazine-1(2H)-carboxamide
CID 2741741
1-(4-Fluorophenyl)-3-(5-methylpyridin-2-yl)urea
CID 701006
N-(3-methyl-2-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]urea
CID 970494
1-(4-Fluorophenyl)-3-(4-methylpyridin-2-yl)urea
CID 708785
1-(4-Fluorophenyl)-3-(3-methylpyridin-2-yl)urea
CID 708788
1-(3-Fluorophenyl)-3-(3-methylpyridin-2-yl)urea
CID 808376
N-(4-methylphenyl)-N'-2-pyridinylethanediamide
CID 2245812
1-(3-Methyl-pyridin-2-yl)-3-p-tolyl-urea
CID 790700
1-(5-Methylpyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 4454820
(R)-2-methyl-N-(4-(trifluoromethyl)phenyl)-4-(3-(trifluoromethyl)pyridin-2-yl)piperazine-1-carboxamide
CID 10296445
N-(4-(Trifluoromethyl)phenyl)-1-(3-(trifluoromethyl)-pyridin-2-yl)-1,2,3,6-tetrahydropyridine-4-carboxamide
CID 11338988
4-(3-Methyl-pyridin-2-yl)-piperazine-1-carboxylic acid (4-trifluoromethyl-phenyl)-amide
CID 11428484

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(oxidoamino)-2-pyridinyl]acetamide?
The IUPAC name of N-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(oxidoamino)-2-pyridinyl]acetamide (CID 169022925) is N-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(oxidoamino)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(oxidoamino)-2-pyridinyl]acetamide?
The canonical SMILES for N-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(oxidoamino)-2-pyridinyl]acetamide is CC(=O)N(c1cc(N[O-])ccn1)c1ccc(C(F)(F)F)cc1F.
What is the InChIKey of N-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(oxidoamino)-2-pyridinyl]acetamide?
The InChIKey is ANBBQZDCEUBQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N3O2/c1-8(22)21(13-7-10(20-23)4-5-19-13)12-3-2-9(6-11(12)15)14(16,17)18/h2-7H,1H3,(H-,19,20,23)/q-1.
What are the key properties of N-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(oxidoamino)-2-pyridinyl]acetamide?
N-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(oxidoamino)-2-pyridinyl]acetamide has a molecular weight of 328.25 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(oxidoamino)-2-pyridinyl]acetamide is sourced from PubChem (CID 169022925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).