3-[(3-fluorophenyl)methylamino]-2,2-dimethylpropanamide

C12H17FN2O — CID 115582738

IUPAC3-[(3-fluorophenyl)methylamino]-2,2-dimethylpropanamide
SMILESCC(C)(CNCc1cccc(F)c1)C(N)=O
InChIInChI=1S/C12H17FN2O/c1-12(2,11(14)16)8-15-7-9-4-3-5-10(13)6-9/h3-6,15H,7-8H2,1-2H3,(H2,14,16)
InChIKeyAZIHGSKAKGLGLN-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.43
Rot. Bonds5

About 3-[(3-fluorophenyl)methylamino]-2,2-dimethylpropanamide

3-[(3-fluorophenyl)methylamino]-2,2-dimethylpropanamide (PubChem CID 115582738) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methylamino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methylamino]-2,2-dimethylpropanamide
PubChem CID115582738
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name3-[(3-fluorophenyl)methylamino]-2,2-dimethylpropanamide
SMILESCC(C)(CNCc1cccc(F)c1)C(N)=O
InChIInChI=1S/C12H17FN2O/c1-12(2,11(14)16)8-15-7-9-4-3-5-10(13)6-9/h3-6,15H,7-8H2,1-2H3,(H2,14,16)
InChIKeyAZIHGSKAKGLGLN-UHFFFAOYSA-N
XLogP1.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-bromophenyl)methylamino]-2,2-dimethylpropanamide
CID 115582736
methyl 3-[(3-fluorophenyl)methylamino]-2-hydroxy-2-methylpropanoate
CID 113436474
2-ethyl-2-[[(3-fluorophenyl)methylamino]methyl]butanoic acid
CID 122129230
3-chloro-N-[(3-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 115363424
2-ethoxy-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 114940815
5-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897825
[4-[(3-fluorophenyl)methylamino]phenyl]urea
CID 43744874
3-[(2-bromo-3-fluorophenyl)methylamino]-2,2-dimethylpropanamide
CID 106276675
2-(2,4-difluorophenyl)-1-[(3-fluorophenyl)methylamino]propan-2-ol
CID 111334411
5-[(3-fluorophenyl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064047
3-(3-fluorophenoxy)-2,2-dimethylpropanamide
CID 82078068
(2S)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanamide
CID 10799935

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methylamino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(3-fluorophenyl)methylamino]-2,2-dimethylpropanamide (CID 115582738) is 3-[(3-fluorophenyl)methylamino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(3-fluorophenyl)methylamino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(3-fluorophenyl)methylamino]-2,2-dimethylpropanamide is CC(C)(CNCc1cccc(F)c1)C(N)=O.
What is the InChIKey of 3-[(3-fluorophenyl)methylamino]-2,2-dimethylpropanamide?
The InChIKey is AZIHGSKAKGLGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-12(2,11(14)16)8-15-7-9-4-3-5-10(13)6-9/h3-6,15H,7-8H2,1-2H3,(H2,14,16).
What are the key properties of 3-[(3-fluorophenyl)methylamino]-2,2-dimethylpropanamide?
3-[(3-fluorophenyl)methylamino]-2,2-dimethylpropanamide has a molecular weight of 224.28 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methylamino]-2,2-dimethylpropanamide is sourced from PubChem (CID 115582738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).