2-amino-N-(3-cyano-4-fluorophenyl)-2-methylpropanamide

C11H12FN3O — CID 62315656

IUPAC2-amino-N-(3-cyano-4-fluorophenyl)-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C11H12FN3O/c1-11(2,14)10(16)15-8-3-4-9(12)7(5-8)6-13/h3-5H,14H2,1-2H3,(H,15,16)
InChIKeyWJSGGULXQQEGPV-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.37
Rot. Bonds2

About 2-amino-N-(3-cyano-4-fluorophenyl)-2-methylpropanamide

2-amino-N-(3-cyano-4-fluorophenyl)-2-methylpropanamide (PubChem CID 62315656) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is 2-amino-N-(3-cyano-4-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(3-cyano-4-fluorophenyl)-2-methylpropanamide
PubChem CID62315656
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Name2-amino-N-(3-cyano-4-fluorophenyl)-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C11H12FN3O/c1-11(2,14)10(16)15-8-3-4-9(12)7(5-8)6-13/h3-5H,14H2,1-2H3,(H,15,16)
InChIKeyWJSGGULXQQEGPV-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

2-amino-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide
CID 114839711
N-(3-cyano-4-fluorophenyl)but-2-enamide
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N-(3-cyano-4-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83199187
propan-2-yl N-(3-cyano-4-fluorophenyl)carbamate
CID 62316495
3-[(3-cyano-4-fluorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66178066
2-(3-cyano-4-fluoroanilino)ethene-1,1,2-tricarbonitrile
CID 168610628
2-chloro-N-(3-cyano-4-fluorophenyl)prop-2-enamide
CID 130856187
N-(3-cyano-4-fluorophenyl)-2,4,6-trimethylbenzamide
CID 62315615
3-(3-cyano-4-fluorophenyl)-1-ethyl-1-methylurea
CID 78925778
N-(3-cyano-4-fluorophenyl)thiophene-3-carboxamide
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1-(3-cyano-4-fluorophenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
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N-(3-cyano-4-fluorophenyl)-3-fluoro-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 144745454

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-cyano-4-fluorophenyl)-2-methylpropanamide?
The IUPAC name of 2-amino-N-(3-cyano-4-fluorophenyl)-2-methylpropanamide (CID 62315656) is 2-amino-N-(3-cyano-4-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(3-cyano-4-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(3-cyano-4-fluorophenyl)-2-methylpropanamide is CC(C)(N)C(=O)Nc1ccc(F)c(C#N)c1.
What is the InChIKey of 2-amino-N-(3-cyano-4-fluorophenyl)-2-methylpropanamide?
The InChIKey is WJSGGULXQQEGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-11(2,14)10(16)15-8-3-4-9(12)7(5-8)6-13/h3-5H,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-(3-cyano-4-fluorophenyl)-2-methylpropanamide?
2-amino-N-(3-cyano-4-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-(3-cyano-4-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 62315656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).