N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(1-methoxypropan-2-yl)-4-pyridin-2-ylbenzamide

C24H23F2N3O3 — CID 56673142

IUPACN-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(1-methoxypropan-2-yl)-4-pyridin-2-ylbenzamide
SMILESCOCC(C)N(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C24H23F2N3O3/c1-16(15-32-2)29(14-23(30)28-21-12-19(25)11-20(26)13-21)24(31)18-8-6-17(7-9-18)22-5-3-4-10-27-22/h3-13,16H,14-15H2,1-2H3,(H,28,30)
InChIKeyMKUURPNLTSGSQF-UHFFFAOYSA-N
MW439.46 g/mol
LogP4.14
Rot. Bonds8

About N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(1-methoxypropan-2-yl)-4-pyridin-2-ylbenzamide

N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(1-methoxypropan-2-yl)-4-pyridin-2-ylbenzamide (PubChem CID 56673142) has the molecular formula C24H23F2N3O3 and a molecular weight of 439.46 g/mol. Its IUPAC name is N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(1-methoxypropan-2-yl)-4-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(1-methoxypropan-2-yl)-4-pyridin-2-ylbenzamide
PubChem CID56673142
Molecular FormulaC24H23F2N3O3
Molecular Weight439.46 g/mol
Exact Mass439.17
IUPAC NameN-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(1-methoxypropan-2-yl)-4-pyridin-2-ylbenzamide
SMILESCOCC(C)N(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C24H23F2N3O3/c1-16(15-32-2)29(14-23(30)28-21-12-19(25)11-20(26)13-21)24(31)18-8-6-17(7-9-18)22-5-3-4-10-27-22/h3-13,16H,14-15H2,1-2H3,(H,28,30)
InChIKeyMKUURPNLTSGSQF-UHFFFAOYSA-N
XLogP4.14
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(1-methoxypropan-2-yl)-4-pyridin-2-ylbenzamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(1-methoxypropan-2-yl)-4-pyridin-2-ylbenzamide?
The IUPAC name of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(1-methoxypropan-2-yl)-4-pyridin-2-ylbenzamide (CID 56673142) is N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(1-methoxypropan-2-yl)-4-pyridin-2-ylbenzamide.
What is the SMILES notation for N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(1-methoxypropan-2-yl)-4-pyridin-2-ylbenzamide?
The canonical SMILES for N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(1-methoxypropan-2-yl)-4-pyridin-2-ylbenzamide is COCC(C)N(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc(-c2ccccn2)cc1.
What is the InChIKey of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(1-methoxypropan-2-yl)-4-pyridin-2-ylbenzamide?
The InChIKey is MKUURPNLTSGSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O3/c1-16(15-32-2)29(14-23(30)28-21-12-19(25)11-20(26)13-21)24(31)18-8-6-17(7-9-18)22-5-3-4-10-27-22/h3-13,16H,14-15H2,1-2H3,(H,28,30).
What are the key properties of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(1-methoxypropan-2-yl)-4-pyridin-2-ylbenzamide?
N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(1-methoxypropan-2-yl)-4-pyridin-2-ylbenzamide has a molecular weight of 439.46 g/mol, XLogP of 4.14, 8 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-(1-methoxypropan-2-yl)-4-pyridin-2-ylbenzamide is sourced from PubChem (CID 56673142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).