2-(2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide

C17H16FN3O — CID 109000386

IUPAC2-(2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
SMILESN#Cc1ccccc1NCC(=O)NCCc1ccccc1F
InChIInChI=1S/C17H16FN3O/c18-15-7-3-1-5-13(15)9-10-20-17(22)12-21-16-8-4-2-6-14(16)11-19/h1-8,21H,9-10,12H2,(H,20,22)
InChIKeyRXRURYAPRTUJBT-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.47
Rot. Bonds6

About 2-(2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide

2-(2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide (PubChem CID 109000386) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-(2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
PubChem CID109000386
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name2-(2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
SMILESN#Cc1ccccc1NCC(=O)NCCc1ccccc1F
InChIInChI=1S/C17H16FN3O/c18-15-7-3-1-5-13(15)9-10-20-17(22)12-21-16-8-4-2-6-14(16)11-19/h1-8,21H,9-10,12H2,(H,20,22)
InChIKeyRXRURYAPRTUJBT-UHFFFAOYSA-N
XLogP2.47
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)anilino]acetamide
CID 109000338
2-(2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 108997912
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
2-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000392
2-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000360
3-(N-acetyl-2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113134695
2-(2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330790
3-(2-cyanoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide
CID 109033435
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
2-fluoro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 579782
N-(2-cyanophenyl)-2-(2,3,4-trifluoroanilino)acetamide
CID 30716981
N-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78990913

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide (CID 109000386) is 2-(2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide is N#Cc1ccccc1NCC(=O)NCCc1ccccc1F.
What is the InChIKey of 2-(2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide?
The InChIKey is RXRURYAPRTUJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c18-15-7-3-1-5-13(15)9-10-20-17(22)12-21-16-8-4-2-6-14(16)11-19/h1-8,21H,9-10,12H2,(H,20,22).
What are the key properties of 2-(2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide?
2-(2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide has a molecular weight of 297.33 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 109000386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).