N-cyclohexyl-N-[2-(2,2-difluoroethylamino)-2-oxo-1-pyridin-2-ylethyl]benzamide

C22H25F2N3O2 — CID 166342313

IUPACN-cyclohexyl-N-[2-(2,2-difluoroethylamino)-2-oxo-1-pyridin-2-ylethyl]benzamide
SMILESO=C(NCC(F)F)C(c1ccccn1)N(C(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C22H25F2N3O2/c23-19(24)15-26-21(28)20(18-13-7-8-14-25-18)27(17-11-5-2-6-12-17)22(29)16-9-3-1-4-10-16/h1,3-4,7-10,13-14,17,19-20H,2,5-6,11-12,15H2,(H,26,28)
InChIKeyFZMCAQAOYOGVJY-UHFFFAOYSA-N
MW401.46 g/mol
LogP3.98
Rot. Bonds7

About N-cyclohexyl-N-[2-(2,2-difluoroethylamino)-2-oxo-1-pyridin-2-ylethyl]benzamide

N-cyclohexyl-N-[2-(2,2-difluoroethylamino)-2-oxo-1-pyridin-2-ylethyl]benzamide (PubChem CID 166342313) has the molecular formula C22H25F2N3O2 and a molecular weight of 401.46 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-(2,2-difluoroethylamino)-2-oxo-1-pyridin-2-ylethyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[2-(2,2-difluoroethylamino)-2-oxo-1-pyridin-2-ylethyl]benzamide
PubChem CID166342313
Molecular FormulaC22H25F2N3O2
Molecular Weight401.46 g/mol
Exact Mass401.19
IUPAC NameN-cyclohexyl-N-[2-(2,2-difluoroethylamino)-2-oxo-1-pyridin-2-ylethyl]benzamide
SMILESO=C(NCC(F)F)C(c1ccccn1)N(C(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C22H25F2N3O2/c23-19(24)15-26-21(28)20(18-13-7-8-14-25-18)27(17-11-5-2-6-12-17)22(29)16-9-3-1-4-10-16/h1,3-4,7-10,13-14,17,19-20H,2,5-6,11-12,15H2,(H,26,28)
InChIKeyFZMCAQAOYOGVJY-UHFFFAOYSA-N
XLogP3.98
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-(2,2-difluoroethylamino)-2-oxo-1-pyridin-2-ylethyl]benzamide?
The IUPAC name of N-cyclohexyl-N-[2-(2,2-difluoroethylamino)-2-oxo-1-pyridin-2-ylethyl]benzamide (CID 166342313) is N-cyclohexyl-N-[2-(2,2-difluoroethylamino)-2-oxo-1-pyridin-2-ylethyl]benzamide.
What is the SMILES notation for N-cyclohexyl-N-[2-(2,2-difluoroethylamino)-2-oxo-1-pyridin-2-ylethyl]benzamide?
The canonical SMILES for N-cyclohexyl-N-[2-(2,2-difluoroethylamino)-2-oxo-1-pyridin-2-ylethyl]benzamide is O=C(NCC(F)F)C(c1ccccn1)N(C(=O)c1ccccc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[2-(2,2-difluoroethylamino)-2-oxo-1-pyridin-2-ylethyl]benzamide?
The InChIKey is FZMCAQAOYOGVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O2/c23-19(24)15-26-21(28)20(18-13-7-8-14-25-18)27(17-11-5-2-6-12-17)22(29)16-9-3-1-4-10-16/h1,3-4,7-10,13-14,17,19-20H,2,5-6,11-12,15H2,(H,26,28).
What are the key properties of N-cyclohexyl-N-[2-(2,2-difluoroethylamino)-2-oxo-1-pyridin-2-ylethyl]benzamide?
N-cyclohexyl-N-[2-(2,2-difluoroethylamino)-2-oxo-1-pyridin-2-ylethyl]benzamide has a molecular weight of 401.46 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[2-(2,2-difluoroethylamino)-2-oxo-1-pyridin-2-ylethyl]benzamide is sourced from PubChem (CID 166342313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).