2-amino-N-(3-fluoro-4-methylphenyl)-2-methylbutanamide

C12H17FN2O — CID 79797233

IUPAC2-amino-N-(3-fluoro-4-methylphenyl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C12H17FN2O/c1-4-12(3,14)11(16)15-9-6-5-8(2)10(13)7-9/h5-7H,4,14H2,1-3H3,(H,15,16)
InChIKeyMPAFZGXGVVVNKP-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.20
Rot. Bonds3

About 2-amino-N-(3-fluoro-4-methylphenyl)-2-methylbutanamide

2-amino-N-(3-fluoro-4-methylphenyl)-2-methylbutanamide (PubChem CID 79797233) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-amino-N-(3-fluoro-4-methylphenyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(3-fluoro-4-methylphenyl)-2-methylbutanamide
PubChem CID79797233
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-amino-N-(3-fluoro-4-methylphenyl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C12H17FN2O/c1-4-12(3,14)11(16)15-9-6-5-8(2)10(13)7-9/h5-7H,4,14H2,1-3H3,(H,15,16)
InChIKeyMPAFZGXGVVVNKP-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-N-(3-fluoro-4-methylphenyl)-2-methylbutanamide 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

2-amino-N-(3-bromo-4-methylphenyl)-2-methylbutanamide
CID 79810570
2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-methylbutanamide
CID 79796549
N-(5-acetamido-2-fluorophenyl)-2-amino-2-methylbutanamide
CID 79796992
2-amino-N-(5-fluoro-2-methylphenyl)-2-methylbutanamide
CID 79796953
2-(4-aminophenyl)-N-(3-fluoro-4-methylphenyl)-2-methylpropanamide
CID 80549578
2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79801719
2-amino-N-(2,5-dimethylphenyl)-2-methylbutanamide
CID 79797135
ethyl 2-[(3-fluoro-4-methylphenyl)carbamoylamino]acetate
CID 43385057
2-(ethylamino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 60641239
2-amino-2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]butanamide
CID 79796566
2-amino-2-methyl-N-(2,4,6-trimethylphenyl)butanamide
CID 79789969
1-amino-N-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 65465257

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-fluoro-4-methylphenyl)-2-methylbutanamide?
The IUPAC name of 2-amino-N-(3-fluoro-4-methylphenyl)-2-methylbutanamide (CID 79797233) is 2-amino-N-(3-fluoro-4-methylphenyl)-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-(3-fluoro-4-methylphenyl)-2-methylbutanamide?
The canonical SMILES for 2-amino-N-(3-fluoro-4-methylphenyl)-2-methylbutanamide is CCC(C)(N)C(=O)Nc1ccc(C)c(F)c1.
What is the InChIKey of 2-amino-N-(3-fluoro-4-methylphenyl)-2-methylbutanamide?
The InChIKey is MPAFZGXGVVVNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-4-12(3,14)11(16)15-9-6-5-8(2)10(13)7-9/h5-7H,4,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-N-(3-fluoro-4-methylphenyl)-2-methylbutanamide?
2-amino-N-(3-fluoro-4-methylphenyl)-2-methylbutanamide has a molecular weight of 224.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-fluoro-4-methylphenyl)-2-methylbutanamide is sourced from PubChem (CID 79797233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).