N-cyclohexyl-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide

C17H24FN3O2 — CID 9253429

IUPACN-cyclohexyl-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)CC(=O)NC1CCCCC1
InChIInChI=1S/C17H24FN3O2/c1-21(11-16(22)19-14-5-3-2-4-6-14)12-17(23)20-15-9-7-13(18)8-10-15/h7-10,14H,2-6,11-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyBFYQWEUQWLYRIJ-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.14
Rot. Bonds6

About N-cyclohexyl-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide

N-cyclohexyl-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 9253429) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is N-cyclohexyl-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID9253429
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC NameN-cyclohexyl-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)CC(=O)NC1CCCCC1
InChIInChI=1S/C17H24FN3O2/c1-21(11-16(22)19-14-5-3-2-4-6-14)12-17(23)20-15-9-7-13(18)8-10-15/h7-10,14H,2-6,11-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyBFYQWEUQWLYRIJ-UHFFFAOYSA-N
XLogP2.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-cyclohexyl-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide (CID 9253429) is N-cyclohexyl-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide is CN(CC(=O)Nc1ccc(F)cc1)CC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is BFYQWEUQWLYRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-21(11-16(22)19-14-5-3-2-4-6-14)12-17(23)20-15-9-7-13(18)8-10-15/h7-10,14H,2-6,11-12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-cyclohexyl-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide?
N-cyclohexyl-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 321.40 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 9253429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).