N-[4-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]acetamide

C20H16F3N3O2 — CID 68563416

IUPACN-[4-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc(Nc3cccc(OC(F)(F)F)c3)nc2)cc1
InChIInChI=1S/C20H16F3N3O2/c1-13(27)25-16-8-5-14(6-9-16)15-7-10-19(24-12-15)26-17-3-2-4-18(11-17)28-20(21,22)23/h2-12H,1H3,(H,24,26)(H,25,27)
InChIKeyJBPCAXKSDFKYOI-UHFFFAOYSA-N
MW387.36 g/mol
LogP5.35
Rot. Bonds5

About N-[4-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]acetamide

N-[4-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]acetamide (PubChem CID 68563416) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is N-[4-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]acetamide
PubChem CID68563416
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC NameN-[4-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc(Nc3cccc(OC(F)(F)F)c3)nc2)cc1
InChIInChI=1S/C20H16F3N3O2/c1-13(27)25-16-8-5-14(6-9-16)15-7-10-19(24-12-15)26-17-3-2-4-18(11-17)28-20(21,22)23/h2-12H,1H3,(H,24,26)(H,25,27)
InChIKeyJBPCAXKSDFKYOI-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

1-[3-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]propan-2-one
CID 68560170
1-[2-methyl-4-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]butan-2-one
CID 143998760
5-(2,3-difluorophenyl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 162637331
N-[2-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]-3-[[3-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]sulfamoyl]propanamide
CID 90890348
methyl N-[6-(3-acetamidoanilino)-3-pyridinyl]carbamate
CID 113020514
N-[4-[2,5-dioxo-1-propyl-4-[3-(trifluoromethoxy)anilino]pyrrol-3-yl]phenyl]acetamide
CID 110596363
1-[4-(2-amino-4-pyridinyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 142716778
N-(4-acetamidophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109293534
N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113034847
N-[4-[[3-(trifluoromethoxy)phenyl]methylamino]phenyl]acetamide
CID 73253844
2,2-dimethyl-N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide
CID 110178309
methyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate
CID 113035161

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[4-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]acetamide (CID 68563416) is N-[4-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[4-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]acetamide is CC(=O)Nc1ccc(-c2ccc(Nc3cccc(OC(F)(F)F)c3)nc2)cc1.
What is the InChIKey of N-[4-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]acetamide?
The InChIKey is JBPCAXKSDFKYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-13(27)25-16-8-5-14(6-9-16)15-7-10-19(24-12-15)26-17-3-2-4-18(11-17)28-20(21,22)23/h2-12H,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[4-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]acetamide?
N-[4-[6-[3-(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-[4-[6-[3-(trifluoromethoxy)anilino]-3-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 68563416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).