1-[4-(difluoromethoxy)phenyl]-2-[N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]ethanone

C20H20F2N2O2 — CID 4751431

IUPAC1-[4-(difluoromethoxy)phenyl]-2-[N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]ethanone
SMILESO=C(CN(C1=NCCCC1)c1ccccc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C20H20F2N2O2/c21-20(22)26-17-11-9-15(10-12-17)18(25)14-24(16-6-2-1-3-7-16)19-8-4-5-13-23-19/h1-3,6-7,9-12,20H,4-5,8,13-14H2
InChIKeyJCXLJKOOQCZGRG-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.56
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-2-[N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]ethanone

1-[4-(difluoromethoxy)phenyl]-2-[N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]ethanone (PubChem CID 4751431) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-2-[N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]ethanone.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-2-[N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]ethanone
PubChem CID4751431
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name1-[4-(difluoromethoxy)phenyl]-2-[N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]ethanone
SMILESO=C(CN(C1=NCCCC1)c1ccccc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C20H20F2N2O2/c21-20(22)26-17-11-9-15(10-12-17)18(25)14-24(16-6-2-1-3-7-16)19-8-4-5-13-23-19/h1-3,6-7,9-12,20H,4-5,8,13-14H2
InChIKeyJCXLJKOOQCZGRG-UHFFFAOYSA-N
XLogP4.56
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-[N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]ethanone?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-[N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]ethanone (CID 4751431) is 1-[4-(difluoromethoxy)phenyl]-2-[N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]ethanone.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-2-[N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]ethanone?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-2-[N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]ethanone is O=C(CN(C1=NCCCC1)c1ccccc1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-2-[N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]ethanone?
The InChIKey is JCXLJKOOQCZGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c21-20(22)26-17-11-9-15(10-12-17)18(25)14-24(16-6-2-1-3-7-16)19-8-4-5-13-23-19/h1-3,6-7,9-12,20H,4-5,8,13-14H2.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-2-[N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]ethanone?
1-[4-(difluoromethoxy)phenyl]-2-[N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]ethanone has a molecular weight of 358.39 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-2-[N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]ethanone is sourced from PubChem (CID 4751431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).