N-tert-butyl-2-(2-cyano-3-fluoroanilino)propanamide

C14H18FN3O — CID 43580684

IUPACN-tert-butyl-2-(2-cyano-3-fluoroanilino)propanamide
SMILESCC(Nc1cccc(F)c1C#N)C(=O)NC(C)(C)C
InChIInChI=1S/C14H18FN3O/c1-9(13(19)18-14(2,3)4)17-12-7-5-6-11(15)10(12)8-16/h5-7,9,17H,1-4H3,(H,18,19)
InChIKeyLQAABYOBEAWTAD-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.41
Rot. Bonds3

About N-tert-butyl-2-(2-cyano-3-fluoroanilino)propanamide

N-tert-butyl-2-(2-cyano-3-fluoroanilino)propanamide (PubChem CID 43580684) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is N-tert-butyl-2-(2-cyano-3-fluoroanilino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-cyano-3-fluoroanilino)propanamide
PubChem CID43580684
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC NameN-tert-butyl-2-(2-cyano-3-fluoroanilino)propanamide
SMILESCC(Nc1cccc(F)c1C#N)C(=O)NC(C)(C)C
InChIInChI=1S/C14H18FN3O/c1-9(13(19)18-14(2,3)4)17-12-7-5-6-11(15)10(12)8-16/h5-7,9,17H,1-4H3,(H,18,19)
InChIKeyLQAABYOBEAWTAD-UHFFFAOYSA-N
XLogP2.41
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-2-(2-cyano-3-fluoroanilino)propanamide 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

2-(2-cyano-3-fluoroanilino)-N-cyclopentylpropanamide
CID 43580689
2-(2-cyano-3-fluoroanilino)-N,N-dimethylpropanamide
CID 43580682
2-fluoro-6-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]benzonitrile
CID 43580691
2-chloro-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580716
2-fluoro-6-[1-(2-hydroxyphenyl)ethylamino]benzonitrile
CID 43580283
2-fluoro-6-[1-(4-propan-2-ylphenyl)ethylamino]benzonitrile
CID 43402732
2-amino-N-(2-cyano-3-fluorophenyl)-2-methylpropanamide
CID 61264990
2-fluoro-6-(4-hydroxybutan-2-ylamino)benzonitrile
CID 78997304
N-(2-cyano-3-fluorophenyl)-2-methylsulfonylpropanamide
CID 113234246
methyl 2-(2-cyano-3-fluoroanilino)butanoate
CID 115352415
2-fluoro-6-(4-methylpentan-2-ylamino)benzonitrile
CID 43580259
2-(1-ethylsulfonylpropan-2-ylamino)-6-fluorobenzonitrile
CID 56789855

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-cyano-3-fluoroanilino)propanamide?
The IUPAC name of N-tert-butyl-2-(2-cyano-3-fluoroanilino)propanamide (CID 43580684) is N-tert-butyl-2-(2-cyano-3-fluoroanilino)propanamide.
What is the SMILES notation for N-tert-butyl-2-(2-cyano-3-fluoroanilino)propanamide?
The canonical SMILES for N-tert-butyl-2-(2-cyano-3-fluoroanilino)propanamide is CC(Nc1cccc(F)c1C#N)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(2-cyano-3-fluoroanilino)propanamide?
The InChIKey is LQAABYOBEAWTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-9(13(19)18-14(2,3)4)17-12-7-5-6-11(15)10(12)8-16/h5-7,9,17H,1-4H3,(H,18,19).
What are the key properties of N-tert-butyl-2-(2-cyano-3-fluoroanilino)propanamide?
N-tert-butyl-2-(2-cyano-3-fluoroanilino)propanamide has a molecular weight of 263.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-cyano-3-fluoroanilino)propanamide is sourced from PubChem (CID 43580684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).