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

C24H23F2N3O2 — CID 56659291

IUPACN-butan-2-yl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-pyridin-2-ylbenzamide
SMILESCCC(C)N(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C24H23F2N3O2/c1-3-16(2)29(15-23(30)28-21-13-19(25)12-20(26)14-21)24(31)18-9-7-17(8-10-18)22-6-4-5-11-27-22/h4-14,16H,3,15H2,1-2H3,(H,28,30)
InChIKeyKQJPQVAOMPTZKE-UHFFFAOYSA-N
MW423.46 g/mol
LogP4.91
Rot. Bonds7

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

N-butan-2-yl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-pyridin-2-ylbenzamide (PubChem CID 56659291) has the molecular formula C24H23F2N3O2 and a molecular weight of 423.46 g/mol. Its IUPAC name is N-butan-2-yl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-pyridin-2-ylbenzamide
PubChem CID56659291
Molecular FormulaC24H23F2N3O2
Molecular Weight423.46 g/mol
Exact Mass423.18
IUPAC NameN-butan-2-yl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-pyridin-2-ylbenzamide
SMILESCCC(C)N(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C24H23F2N3O2/c1-3-16(2)29(15-23(30)28-21-13-19(25)12-20(26)14-21)24(31)18-9-7-17(8-10-18)22-6-4-5-11-27-22/h4-14,16H,3,15H2,1-2H3,(H,28,30)
InChIKeyKQJPQVAOMPTZKE-UHFFFAOYSA-N
XLogP4.91
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-pyridin-2-ylbenzamide?
The IUPAC name of N-butan-2-yl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-pyridin-2-ylbenzamide (CID 56659291) is N-butan-2-yl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-pyridin-2-ylbenzamide.
What is the SMILES notation for N-butan-2-yl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-pyridin-2-ylbenzamide?
The canonical SMILES for N-butan-2-yl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-pyridin-2-ylbenzamide is CCC(C)N(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc(-c2ccccn2)cc1.
What is the InChIKey of N-butan-2-yl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-pyridin-2-ylbenzamide?
The InChIKey is KQJPQVAOMPTZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O2/c1-3-16(2)29(15-23(30)28-21-13-19(25)12-20(26)14-21)24(31)18-9-7-17(8-10-18)22-6-4-5-11-27-22/h4-14,16H,3,15H2,1-2H3,(H,28,30).
What are the key properties of N-butan-2-yl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-pyridin-2-ylbenzamide?
N-butan-2-yl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-pyridin-2-ylbenzamide has a molecular weight of 423.46 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-pyridin-2-ylbenzamide is sourced from PubChem (CID 56659291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).