N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(oxan-3-yl)-4-pyridin-2-ylbenzamide

C25H23F2N3O3 — CID 54752777

IUPACN-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(oxan-3-yl)-4-pyridin-2-ylbenzamide
SMILESO=C(CN(C(=O)c1ccc(-c2ccccn2)cc1)C1CCCOC1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C25H23F2N3O3/c26-19-12-20(27)14-21(13-19)29-24(31)15-30(22-4-3-11-33-16-22)25(32)18-8-6-17(7-9-18)23-5-1-2-10-28-23/h1-2,5-10,12-14,22H,3-4,11,15-16H2,(H,29,31)
InChIKeyZORVLIUUFPSGQD-UHFFFAOYSA-N
MW451.47 g/mol
LogP4.29
Rot. Bonds6

About N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(oxan-3-yl)-4-pyridin-2-ylbenzamide

N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(oxan-3-yl)-4-pyridin-2-ylbenzamide (PubChem CID 54752777) has the molecular formula C25H23F2N3O3 and a molecular weight of 451.47 g/mol. Its IUPAC name is N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(oxan-3-yl)-4-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(oxan-3-yl)-4-pyridin-2-ylbenzamide
PubChem CID54752777
Molecular FormulaC25H23F2N3O3
Molecular Weight451.47 g/mol
Exact Mass451.17
IUPAC NameN-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(oxan-3-yl)-4-pyridin-2-ylbenzamide
SMILESO=C(CN(C(=O)c1ccc(-c2ccccn2)cc1)C1CCCOC1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C25H23F2N3O3/c26-19-12-20(27)14-21(13-19)29-24(31)15-30(22-4-3-11-33-16-22)25(32)18-8-6-17(7-9-18)23-5-1-2-10-28-23/h1-2,5-10,12-14,22H,3-4,11,15-16H2,(H,29,31)
InChIKeyZORVLIUUFPSGQD-UHFFFAOYSA-N
XLogP4.29
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(oxan-3-yl)-4-pyridin-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(oxan-3-yl)-4-pyridin-2-ylbenzamide?
The IUPAC name of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(oxan-3-yl)-4-pyridin-2-ylbenzamide (CID 54752777) is N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(oxan-3-yl)-4-pyridin-2-ylbenzamide.
What is the SMILES notation for N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(oxan-3-yl)-4-pyridin-2-ylbenzamide?
The canonical SMILES for N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(oxan-3-yl)-4-pyridin-2-ylbenzamide is O=C(CN(C(=O)c1ccc(-c2ccccn2)cc1)C1CCCOC1)Nc1cc(F)cc(F)c1.
What is the InChIKey of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(oxan-3-yl)-4-pyridin-2-ylbenzamide?
The InChIKey is ZORVLIUUFPSGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O3/c26-19-12-20(27)14-21(13-19)29-24(31)15-30(22-4-3-11-33-16-22)25(32)18-8-6-17(7-9-18)23-5-1-2-10-28-23/h1-2,5-10,12-14,22H,3-4,11,15-16H2,(H,29,31).
What are the key properties of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(oxan-3-yl)-4-pyridin-2-ylbenzamide?
N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(oxan-3-yl)-4-pyridin-2-ylbenzamide has a molecular weight of 451.47 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(oxan-3-yl)-4-pyridin-2-ylbenzamide is sourced from PubChem (CID 54752777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).