N-[3-[6-[2-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]acetamide

C20H16F3N3O2 — CID 68564958

IUPACN-[3-[6-[2-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc(Nc3ccccc3OC(F)(F)F)nc2)c1
InChIInChI=1S/C20H16F3N3O2/c1-13(27)25-16-6-4-5-14(11-16)15-9-10-19(24-12-15)26-17-7-2-3-8-18(17)28-20(21,22)23/h2-12H,1H3,(H,24,26)(H,25,27)
InChIKeyQAJMKSVABGIDHR-UHFFFAOYSA-N
MW387.36 g/mol
LogP5.35
Rot. Bonds5

About N-[3-[6-[2-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]acetamide

N-[3-[6-[2-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]acetamide (PubChem CID 68564958) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is N-[3-[6-[2-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-[2-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]acetamide
PubChem CID68564958
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC NameN-[3-[6-[2-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc(Nc3ccccc3OC(F)(F)F)nc2)c1
InChIInChI=1S/C20H16F3N3O2/c1-13(27)25-16-6-4-5-14(11-16)15-9-10-19(24-12-15)26-17-7-2-3-8-18(17)28-20(21,22)23/h2-12H,1H3,(H,24,26)(H,25,27)
InChIKeyQAJMKSVABGIDHR-UHFFFAOYSA-N
XLogP5.35
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.36
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(Benzyloxy)pyridin-2-yl]-1-phenylurea
CID 3663276
Urea, N-[4-[(2,3-dihydro-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-N'-[2-methoxy-5-(trifluoromethyl)phenyl]-
CID 42626197
US10155760, Example 23
CID 118419711
US10155760, Example 19
CID 118419969
US10155760, Example 12
CID 118420154
US10155760, Example 27
CID 118420285
US10155760, Example 1
CID 118420330
US10155760, Example 5
CID 118420335
1-(2-Methoxyphenyl)-3-(5-methylpyridin-2-yl)urea
CID 808195
1,8-Naphthyridine-3-carboxamide, 1,2-dihydro-4-hydroxy-N-(2-methoxyphenyl)-2-oxo-1-phenyl-
CID 54715430
(S)-N2-(2-(4-fluorophenoxy)ethyl)-N4-(1-phenylethyl)pyridine-2,4-diamine
CID 10450593
N*2*-(2-Phenoxy-ethyl)-N*4*-((S)-1-phenyl-ethyl)-pyridine-2,4-diamine
CID 44393073

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[2-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[3-[6-[2-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]acetamide (CID 68564958) is N-[3-[6-[2-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-[2-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-[2-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]acetamide is CC(=O)Nc1cccc(-c2ccc(Nc3ccccc3OC(F)(F)F)nc2)c1.
What is the InChIKey of N-[3-[6-[2-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]acetamide?
The InChIKey is QAJMKSVABGIDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-13(27)25-16-6-4-5-14(11-16)15-9-10-19(24-12-15)26-17-7-2-3-8-18(17)28-20(21,22)23/h2-12H,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[6-[2-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]acetamide?
N-[3-[6-[2-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]acetamide has a molecular weight of 387.36 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-[2-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 68564958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).