N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-phenoxyacetamide

C19H13F4N3O2 — CID 130473217

IUPACN-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(-c2cncc(F)c2)nc1C(F)(F)F
InChIInChI=1S/C19H13F4N3O2/c20-13-8-12(9-24-10-13)15-6-7-16(18(26-15)19(21,22)23)25-17(27)11-28-14-4-2-1-3-5-14/h1-10H,11H2,(H,25,27)
InChIKeyMLFKXDRKYDYYCU-UHFFFAOYSA-N
MW391.32 g/mol
LogP4.32
Rot. Bonds5

About N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-phenoxyacetamide

N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-phenoxyacetamide (PubChem CID 130473217) has the molecular formula C19H13F4N3O2 and a molecular weight of 391.32 g/mol. Its IUPAC name is N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-phenoxyacetamide
PubChem CID130473217
Molecular FormulaC19H13F4N3O2
Molecular Weight391.32 g/mol
Exact Mass391.09
IUPAC NameN-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(-c2cncc(F)c2)nc1C(F)(F)F
InChIInChI=1S/C19H13F4N3O2/c20-13-8-12(9-24-10-13)15-6-7-16(18(26-15)19(21,22)23)25-17(27)11-28-14-4-2-1-3-5-14/h1-10H,11H2,(H,25,27)
InChIKeyMLFKXDRKYDYYCU-UHFFFAOYSA-N
XLogP4.32
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130473225
N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]benzamide
CID 130472965
cyclohexyl N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]carbamate
CID 130471307
N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide
CID 145373033
N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide
CID 130471345
2-amino-N-[5-fluoro-2-[(2-phenoxyacetyl)amino]phenyl]acetamide
CID 39183990
2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-(1-phenylethyl)pyridin-3-amine
CID 130473546
N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide
CID 1247989
N-(2-fluorophenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467631
N-(4-fluoro-2-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 87000961
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 953564
N-(6-fluoro-3-pyridinyl)-2-phenoxyacetamide
CID 103789815

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-phenoxyacetamide?
The IUPAC name of N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-phenoxyacetamide (CID 130473217) is N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-phenoxyacetamide?
The canonical SMILES for N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc(-c2cncc(F)c2)nc1C(F)(F)F.
What is the InChIKey of N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-phenoxyacetamide?
The InChIKey is MLFKXDRKYDYYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N3O2/c20-13-8-12(9-24-10-13)15-6-7-16(18(26-15)19(21,22)23)25-17(27)11-28-14-4-2-1-3-5-14/h1-10H,11H2,(H,25,27).
What are the key properties of N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-phenoxyacetamide?
N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-phenoxyacetamide has a molecular weight of 391.32 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-phenoxyacetamide is sourced from PubChem (CID 130473217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).