2-amino-N-(2-cyano-3-fluorophenyl)-2-methylpropanamide

C11H12FN3O — CID 61264990

IUPAC2-amino-N-(2-cyano-3-fluorophenyl)-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1cccc(F)c1C#N
InChIInChI=1S/C11H12FN3O/c1-11(2,14)10(16)15-9-5-3-4-8(12)7(9)6-13/h3-5H,14H2,1-2H3,(H,15,16)
InChIKeySKDUYUWRIKOBFF-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.37
Rot. Bonds2

About 2-amino-N-(2-cyano-3-fluorophenyl)-2-methylpropanamide

2-amino-N-(2-cyano-3-fluorophenyl)-2-methylpropanamide (PubChem CID 61264990) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is 2-amino-N-(2-cyano-3-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2-cyano-3-fluorophenyl)-2-methylpropanamide
PubChem CID61264990
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Name2-amino-N-(2-cyano-3-fluorophenyl)-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1cccc(F)c1C#N
InChIInChI=1S/C11H12FN3O/c1-11(2,14)10(16)15-9-5-3-4-8(12)7(9)6-13/h3-5H,14H2,1-2H3,(H,15,16)
InChIKeySKDUYUWRIKOBFF-UHFFFAOYSA-N
XLogP1.37
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580751
N-(2-cyano-3-fluorophenyl)propanamide
CID 43580352
2-amino-N-(2-cyano-3-fluorophenyl)acetamide
CID 43580746
2-(aminomethyl)-N-(2-cyano-3-fluorophenyl)-4,4-dimethylpentanamide
CID 107471228
2-chloro-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580716
2-chloro-N-(2-cyano-3-fluorophenyl)acetamide
CID 2781266
3-chloro-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580715
N-(2-cyano-3-fluorophenyl)cyclopropanecarboxamide
CID 43580354
2-amino-N-(2-cyano-3-fluorophenyl)-4-methylpentanamide
CID 43580760
1-(2-chlorophenyl)-3-(2-cyano-3-fluorophenyl)urea
CID 43580526
tert-butyl 2-(2-cyano-3-fluoroanilino)acetate
CID 60824669
N-(2-cyano-3-fluorophenyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660264

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyano-3-fluorophenyl)-2-methylpropanamide?
The IUPAC name of 2-amino-N-(2-cyano-3-fluorophenyl)-2-methylpropanamide (CID 61264990) is 2-amino-N-(2-cyano-3-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(2-cyano-3-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(2-cyano-3-fluorophenyl)-2-methylpropanamide is CC(C)(N)C(=O)Nc1cccc(F)c1C#N.
What is the InChIKey of 2-amino-N-(2-cyano-3-fluorophenyl)-2-methylpropanamide?
The InChIKey is SKDUYUWRIKOBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-11(2,14)10(16)15-9-5-3-4-8(12)7(9)6-13/h3-5H,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-(2-cyano-3-fluorophenyl)-2-methylpropanamide?
2-amino-N-(2-cyano-3-fluorophenyl)-2-methylpropanamide has a molecular weight of 221.23 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyano-3-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 61264990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).