(2R)-2-amino-N-(2-fluorophenyl)-N,3-dimethylbutanamide

C12H17FN2O — CID 79013183

IUPAC(2R)-2-amino-N-(2-fluorophenyl)-N,3-dimethylbutanamide
SMILESCC(C)[C@@H](N)C(=O)N(C)c1ccccc1F
InChIInChI=1S/C12H17FN2O/c1-8(2)11(14)12(16)15(3)10-7-5-4-6-9(10)13/h4-8,11H,14H2,1-3H3/t11-/m1/s1
InChIKeyWFYLKZCVRDPNSZ-LLVKDONJSA-N
MW224.28 g/mol
LogP1.77
Rot. Bonds3

About (2R)-2-amino-N-(2-fluorophenyl)-N,3-dimethylbutanamide

(2R)-2-amino-N-(2-fluorophenyl)-N,3-dimethylbutanamide (PubChem CID 79013183) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-fluorophenyl)-N,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-fluorophenyl)-N,3-dimethylbutanamide
PubChem CID79013183
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name(2R)-2-amino-N-(2-fluorophenyl)-N,3-dimethylbutanamide
SMILESCC(C)[C@@H](N)C(=O)N(C)c1ccccc1F
InChIInChI=1S/C12H17FN2O/c1-8(2)11(14)12(16)15(3)10-7-5-4-6-9(10)13/h4-8,11H,14H2,1-3H3/t11-/m1/s1
InChIKeyWFYLKZCVRDPNSZ-LLVKDONJSA-N
XLogP1.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-fluorophenyl)-N,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2-fluorophenyl)-N,3-dimethylbutanamide (CID 79013183) is (2R)-2-amino-N-(2-fluorophenyl)-N,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-fluorophenyl)-N,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2-fluorophenyl)-N,3-dimethylbutanamide is CC(C)[C@@H](N)C(=O)N(C)c1ccccc1F.
What is the InChIKey of (2R)-2-amino-N-(2-fluorophenyl)-N,3-dimethylbutanamide?
The InChIKey is WFYLKZCVRDPNSZ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-8(2)11(14)12(16)15(3)10-7-5-4-6-9(10)13/h4-8,11H,14H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-fluorophenyl)-N,3-dimethylbutanamide?
(2R)-2-amino-N-(2-fluorophenyl)-N,3-dimethylbutanamide has a molecular weight of 224.28 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-fluorophenyl)-N,3-dimethylbutanamide is sourced from PubChem (CID 79013183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).