(2S)-2-amino-N-(2-fluoro-4-methylphenyl)-3,3-dimethylbutanamide

C13H19FN2O — CID 61148813

IUPAC(2S)-2-amino-N-(2-fluoro-4-methylphenyl)-3,3-dimethylbutanamide
SMILESCc1ccc(NC(=O)[C@@H](N)C(C)(C)C)c(F)c1
InChIInChI=1S/C13H19FN2O/c1-8-5-6-10(9(14)7-8)16-12(17)11(15)13(2,3)4/h5-7,11H,15H2,1-4H3,(H,16,17)/t11-/m1/s1
InChIKeyVJOFJPHOJKFUDE-LLVKDONJSA-N
MW238.31 g/mol
LogP2.45
Rot. Bonds2

About (2S)-2-amino-N-(2-fluoro-4-methylphenyl)-3,3-dimethylbutanamide

(2S)-2-amino-N-(2-fluoro-4-methylphenyl)-3,3-dimethylbutanamide (PubChem CID 61148813) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-fluoro-4-methylphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-fluoro-4-methylphenyl)-3,3-dimethylbutanamide
PubChem CID61148813
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name(2S)-2-amino-N-(2-fluoro-4-methylphenyl)-3,3-dimethylbutanamide
SMILESCc1ccc(NC(=O)[C@@H](N)C(C)(C)C)c(F)c1
InChIInChI=1S/C13H19FN2O/c1-8-5-6-10(9(14)7-8)16-12(17)11(15)13(2,3)4/h5-7,11H,15H2,1-4H3,(H,16,17)/t11-/m1/s1
InChIKeyVJOFJPHOJKFUDE-LLVKDONJSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-N-(2-fluoro-4-methylphenyl)-3,3-dimethylbutanamide 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

(2R)-2-amino-N-(2-bromo-4-methylphenyl)-3,3-dimethylbutanamide
CID 113353272
2-amino-N-(2,4-dimethylphenyl)-3,3-dimethylbutanamide
CID 76892717
(2S)-2-amino-N-(2,5-dimethylphenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119669266
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
CID 61149030
3-amino-N-(2-fluoro-4-methylphenyl)-2,2,3-trimethylbutanamide
CID 65264934
(2R)-2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
CID 93255538
2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
CID 43650206
2-amino-N-(2-ethoxy-4-methylphenyl)-3,3-dimethylbutanamide
CID 76888007
N-(2-fluoro-4-methylphenyl)-2,2-dimethylpropanamide
CID 24898894
(2S)-2-amino-N-(2,5-difluoro-4-methoxyphenyl)-3,3-dimethylbutanamide
CID 119812870
5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2,4-difluorobenzamide
CID 61155996
(2R)-N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide
CID 103928590

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-fluoro-4-methylphenyl)-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2-fluoro-4-methylphenyl)-3,3-dimethylbutanamide (CID 61148813) is (2S)-2-amino-N-(2-fluoro-4-methylphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-fluoro-4-methylphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2-fluoro-4-methylphenyl)-3,3-dimethylbutanamide is Cc1ccc(NC(=O)[C@@H](N)C(C)(C)C)c(F)c1.
What is the InChIKey of (2S)-2-amino-N-(2-fluoro-4-methylphenyl)-3,3-dimethylbutanamide?
The InChIKey is VJOFJPHOJKFUDE-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-8-5-6-10(9(14)7-8)16-12(17)11(15)13(2,3)4/h5-7,11H,15H2,1-4H3,(H,16,17)/t11-/m1/s1.
What are the key properties of (2S)-2-amino-N-(2-fluoro-4-methylphenyl)-3,3-dimethylbutanamide?
(2S)-2-amino-N-(2-fluoro-4-methylphenyl)-3,3-dimethylbutanamide has a molecular weight of 238.31 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-fluoro-4-methylphenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 61148813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).