2-(2-acetyl-5-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide

C16H18FN3O2 — CID 86788068

IUPAC2-(2-acetyl-5-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide
SMILESCC(=O)c1ccc(F)cc1NCC(=O)NC(C)(C#N)C1CC1
InChIInChI=1S/C16H18FN3O2/c1-10(21)13-6-5-12(17)7-14(13)19-8-15(22)20-16(2,9-18)11-3-4-11/h5-7,11,19H,3-4,8H2,1-2H3,(H,20,22)
InChIKeyGANSZBIAFDDQIW-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.25
Rot. Bonds6

About 2-(2-acetyl-5-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide

2-(2-acetyl-5-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide (PubChem CID 86788068) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-(2-acetyl-5-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide.

Molecular Properties

Compound Name2-(2-acetyl-5-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide
PubChem CID86788068
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name2-(2-acetyl-5-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide
SMILESCC(=O)c1ccc(F)cc1NCC(=O)NC(C)(C#N)C1CC1
InChIInChI=1S/C16H18FN3O2/c1-10(21)13-6-5-12(17)7-14(13)19-8-15(22)20-16(2,9-18)11-3-4-11/h5-7,11,19H,3-4,8H2,1-2H3,(H,20,22)
InChIKeyGANSZBIAFDDQIW-UHFFFAOYSA-N
XLogP2.25
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-acetyl-5-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)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

methyl 2-[[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]amino]-4-fluorobenzoate
CID 94630899
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,3,4-trifluoroanilino)acetamide
CID 51862267
N-[4-[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 60537249
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,4-dimethylanilino)acetamide
CID 37473194
2-(3-chloro-2-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 47123731
N-(1-cyano-1-cyclopropylethyl)-2-(2,5-dichloroanilino)acetamide
CID 43015950
2-(2-chloroanilino)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 37471767
N-(1-cyano-1-cyclopropylethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide
CID 51095929
2-(3-acetamido-4-methylanilino)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 94630869
2-(2-acetylphenoxy)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
CID 7859288
2-(2-acetylphenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 7859290
2-(2-bromo-4-fluorophenoxy)-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 47004249

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-5-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide?
The IUPAC name of 2-(2-acetyl-5-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide (CID 86788068) is 2-(2-acetyl-5-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide.
What is the SMILES notation for 2-(2-acetyl-5-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide?
The canonical SMILES for 2-(2-acetyl-5-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide is CC(=O)c1ccc(F)cc1NCC(=O)NC(C)(C#N)C1CC1.
What is the InChIKey of 2-(2-acetyl-5-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide?
The InChIKey is GANSZBIAFDDQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-10(21)13-6-5-12(17)7-14(13)19-8-15(22)20-16(2,9-18)11-3-4-11/h5-7,11,19H,3-4,8H2,1-2H3,(H,20,22).
What are the key properties of 2-(2-acetyl-5-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide?
2-(2-acetyl-5-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide has a molecular weight of 303.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-5-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide is sourced from PubChem (CID 86788068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).