2-(2-cyano-3-fluoroanilino)-N,N-dimethylpropanamide

C12H14FN3O — CID 43580682

IUPAC2-(2-cyano-3-fluoroanilino)-N,N-dimethylpropanamide
SMILESCC(Nc1cccc(F)c1C#N)C(=O)N(C)C
InChIInChI=1S/C12H14FN3O/c1-8(12(17)16(2)3)15-11-6-4-5-10(13)9(11)7-14/h4-6,8,15H,1-3H3
InChIKeyZBZJAUAWWVRAPT-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.59
Rot. Bonds3

About 2-(2-cyano-3-fluoroanilino)-N,N-dimethylpropanamide

2-(2-cyano-3-fluoroanilino)-N,N-dimethylpropanamide (PubChem CID 43580682) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-(2-cyano-3-fluoroanilino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(2-cyano-3-fluoroanilino)-N,N-dimethylpropanamide
PubChem CID43580682
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name2-(2-cyano-3-fluoroanilino)-N,N-dimethylpropanamide
SMILESCC(Nc1cccc(F)c1C#N)C(=O)N(C)C
InChIInChI=1S/C12H14FN3O/c1-8(12(17)16(2)3)15-11-6-4-5-10(13)9(11)7-14/h4-6,8,15H,1-3H3
InChIKeyZBZJAUAWWVRAPT-UHFFFAOYSA-N
XLogP1.59
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-(2-cyano-3-fluoroanilino)propanamide
CID 43580684
2-(2,6-difluoroanilino)-N,N-dimethylpropanamide
CID 43088763
2-(2-cyano-3-fluoroanilino)-N-cyclopentylpropanamide
CID 43580689
2-[(2-cyano-3-fluorophenyl)carbamoyl-methylamino]propanoic acid
CID 62639026
2-fluoro-6-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]benzonitrile
CID 43580691
2-fluoro-6-(4-hydroxybutan-2-ylamino)benzonitrile
CID 78997304
2-chloro-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580716
methyl 2-(2-cyano-3-fluoroanilino)butanoate
CID 115352415
2-fluoro-6-(4-methylpentan-2-ylamino)benzonitrile
CID 43580259
N-(2-cyano-3-fluorophenyl)propanamide
CID 43580352
2-fluoro-6-[1-(2-hydroxyphenyl)ethylamino]benzonitrile
CID 43580283
2-(1-ethylsulfonylpropan-2-ylamino)-6-fluorobenzonitrile
CID 56789855

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-3-fluoroanilino)-N,N-dimethylpropanamide?
The IUPAC name of 2-(2-cyano-3-fluoroanilino)-N,N-dimethylpropanamide (CID 43580682) is 2-(2-cyano-3-fluoroanilino)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(2-cyano-3-fluoroanilino)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(2-cyano-3-fluoroanilino)-N,N-dimethylpropanamide is CC(Nc1cccc(F)c1C#N)C(=O)N(C)C.
What is the InChIKey of 2-(2-cyano-3-fluoroanilino)-N,N-dimethylpropanamide?
The InChIKey is ZBZJAUAWWVRAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-8(12(17)16(2)3)15-11-6-4-5-10(13)9(11)7-14/h4-6,8,15H,1-3H3.
What are the key properties of 2-(2-cyano-3-fluoroanilino)-N,N-dimethylpropanamide?
2-(2-cyano-3-fluoroanilino)-N,N-dimethylpropanamide has a molecular weight of 235.26 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-3-fluoroanilino)-N,N-dimethylpropanamide is sourced from PubChem (CID 43580682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).