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

C25H23F2N3O3 — CID 56683113

IUPACN-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(oxan-4-yl)-4-pyridin-2-ylbenzamide
SMILESO=C(CN(C(=O)c1ccc(-c2ccccn2)cc1)C1CCOCC1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C25H23F2N3O3/c26-19-13-20(27)15-21(14-19)29-24(31)16-30(22-8-11-33-12-9-22)25(32)18-6-4-17(5-7-18)23-3-1-2-10-28-23/h1-7,10,13-15,22H,8-9,11-12,16H2,(H,29,31)
InChIKeyZECWXZXMXBVQIW-UHFFFAOYSA-N
MW451.47 g/mol
LogP4.29
Rot. Bonds6

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

N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(oxan-4-yl)-4-pyridin-2-ylbenzamide (PubChem CID 56683113) 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-4-yl)-4-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(oxan-4-yl)-4-pyridin-2-ylbenzamide
PubChem CID56683113
Molecular FormulaC25H23F2N3O3
Molecular Weight451.47 g/mol
Exact Mass451.17
IUPAC NameN-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(oxan-4-yl)-4-pyridin-2-ylbenzamide
SMILESO=C(CN(C(=O)c1ccc(-c2ccccn2)cc1)C1CCOCC1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C25H23F2N3O3/c26-19-13-20(27)15-21(14-19)29-24(31)16-30(22-8-11-33-12-9-22)25(32)18-6-4-17(5-7-18)23-3-1-2-10-28-23/h1-7,10,13-15,22H,8-9,11-12,16H2,(H,29,31)
InChIKeyZECWXZXMXBVQIW-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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(oxan-4-yl)-4-pyridin-2-ylbenzamide?
The IUPAC name of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(oxan-4-yl)-4-pyridin-2-ylbenzamide (CID 56683113) is N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(oxan-4-yl)-4-pyridin-2-ylbenzamide.
What is the SMILES notation for N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(oxan-4-yl)-4-pyridin-2-ylbenzamide?
The canonical SMILES for N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(oxan-4-yl)-4-pyridin-2-ylbenzamide is O=C(CN(C(=O)c1ccc(-c2ccccn2)cc1)C1CCOCC1)Nc1cc(F)cc(F)c1.
What is the InChIKey of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(oxan-4-yl)-4-pyridin-2-ylbenzamide?
The InChIKey is ZECWXZXMXBVQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O3/c26-19-13-20(27)15-21(14-19)29-24(31)16-30(22-8-11-33-12-9-22)25(32)18-6-4-17(5-7-18)23-3-1-2-10-28-23/h1-7,10,13-15,22H,8-9,11-12,16H2,(H,29,31).
What are the key properties of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(oxan-4-yl)-4-pyridin-2-ylbenzamide?
N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(oxan-4-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-4-yl)-4-pyridin-2-ylbenzamide is sourced from PubChem (CID 56683113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).