2-(3-cyano-5-fluoroanilino)-N-propan-2-ylacetamide

C12H14FN3O — CID 102815411

IUPAC2-(3-cyano-5-fluoroanilino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1cc(F)cc(C#N)c1
InChIInChI=1S/C12H14FN3O/c1-8(2)16-12(17)7-15-11-4-9(6-14)3-10(13)5-11/h3-5,8,15H,7H2,1-2H3,(H,16,17)
InChIKeyPZAMOFJGWBVJLX-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.63
Rot. Bonds4

About 2-(3-cyano-5-fluoroanilino)-N-propan-2-ylacetamide

2-(3-cyano-5-fluoroanilino)-N-propan-2-ylacetamide (PubChem CID 102815411) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-(3-cyano-5-fluoroanilino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-cyano-5-fluoroanilino)-N-propan-2-ylacetamide
PubChem CID102815411
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name2-(3-cyano-5-fluoroanilino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1cc(F)cc(C#N)c1
InChIInChI=1S/C12H14FN3O/c1-8(2)16-12(17)7-15-11-4-9(6-14)3-10(13)5-11/h3-5,8,15H,7H2,1-2H3,(H,16,17)
InChIKeyPZAMOFJGWBVJLX-UHFFFAOYSA-N
XLogP1.63
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-difluoroanilino)-N-(propan-2-ylcarbamoyl)acetamide
CID 35823872
3-fluoro-5-[[2-methyl-3-(methylamino)propyl]amino]benzonitrile
CID 102819211
2-[4-[[2-(3-cyanoanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide
CID 32996968
3-(2-ethoxypropylamino)-5-fluorobenzonitrile
CID 102817349
2-(3,5-dichloroanilino)-N-propan-2-ylacetamide
CID 28576141
3-[2-(ethylamino)ethylamino]-5-fluorobenzonitrile
CID 102818911
2-(3,5-difluoroanilino)-N-(2-methylpropyl)acetamide
CID 28584200
ethyl 4-(3-cyano-5-fluoroanilino)butanoate
CID 102816596
methyl 2-(3-cyano-5-fluoroanilino)-3-methylbutanoate
CID 102815971
2-(3-chloro-5-fluoroanilino)-N-(3-methylbutan-2-yl)acetamide
CID 103773234
3-fluoro-5-(3,3,3-trifluoropropylamino)benzonitrile
CID 70982475
tert-butyl N-[1-(3-cyano-5-fluorophenyl)ethyl]carbamate
CID 86651093

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-5-fluoroanilino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-cyano-5-fluoroanilino)-N-propan-2-ylacetamide (CID 102815411) is 2-(3-cyano-5-fluoroanilino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-cyano-5-fluoroanilino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-cyano-5-fluoroanilino)-N-propan-2-ylacetamide is CC(C)NC(=O)CNc1cc(F)cc(C#N)c1.
What is the InChIKey of 2-(3-cyano-5-fluoroanilino)-N-propan-2-ylacetamide?
The InChIKey is PZAMOFJGWBVJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-8(2)16-12(17)7-15-11-4-9(6-14)3-10(13)5-11/h3-5,8,15H,7H2,1-2H3,(H,16,17).
What are the key properties of 2-(3-cyano-5-fluoroanilino)-N-propan-2-ylacetamide?
2-(3-cyano-5-fluoroanilino)-N-propan-2-ylacetamide has a molecular weight of 235.26 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-5-fluoroanilino)-N-propan-2-ylacetamide is sourced from PubChem (CID 102815411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).