N-[2-(3-cyanoanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide

C17H14FN3O2 — CID 113001924

IUPACN-[2-(3-cyanoanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)CNC(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C17H14FN3O2/c18-14-6-4-12(5-7-14)9-16(22)20-11-17(23)21-15-3-1-2-13(8-15)10-19/h1-8H,9,11H2,(H,20,22)(H,21,23)
InChIKeyAEJYAWVDAQXCAG-UHFFFAOYSA-N
MW311.32 g/mol
LogP1.99
Rot. Bonds5

About N-[2-(3-cyanoanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide

N-[2-(3-cyanoanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 113001924) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is N-[2-(3-cyanoanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3-cyanoanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
PubChem CID113001924
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC NameN-[2-(3-cyanoanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)CNC(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C17H14FN3O2/c18-14-6-4-12(5-7-14)9-16(22)20-11-17(23)21-15-3-1-2-13(8-15)10-19/h1-8H,9,11H2,(H,20,22)(H,21,23)
InChIKeyAEJYAWVDAQXCAG-UHFFFAOYSA-N
XLogP1.99
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
2-(4-bromophenyl)-N-(3-cyanophenyl)acetamide
CID 2124999
2-(4-aminophenyl)-N-(3-cyanophenyl)acetamide
CID 16782050
N-(3-cyanophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109011066
N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 113002054
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 49335487
N-[2-(3-cyanoanilino)-2-oxoethyl]-2-ethylbutanamide
CID 113001916
N-(3-cyanophenyl)-2-(4-fluoro-2-methylanilino)acetamide
CID 9106150
2-[[2-(3-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253306
4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049931
2-(2-chloro-4-fluoroanilino)-N-(3-cyanophenyl)acetamide
CID 9099516
[1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 16524098

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyanoanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-(3-cyanoanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide (CID 113001924) is N-[2-(3-cyanoanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(3-cyanoanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(3-cyanoanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide is N#Cc1cccc(NC(=O)CNC(=O)Cc2ccc(F)cc2)c1.
What is the InChIKey of N-[2-(3-cyanoanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is AEJYAWVDAQXCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c18-14-6-4-12(5-7-14)9-16(22)20-11-17(23)21-15-3-1-2-13(8-15)10-19/h1-8H,9,11H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-(3-cyanoanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide?
N-[2-(3-cyanoanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 311.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyanoanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 113001924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).