2-amino-N-(4-fluoro-2-methylphenyl)butanamide

C11H15FN2O — CID 43649448

IUPAC2-amino-N-(4-fluoro-2-methylphenyl)butanamide
SMILESCCC(N)C(=O)Nc1ccc(F)cc1C
InChIInChI=1S/C11H15FN2O/c1-3-9(13)11(15)14-10-5-4-8(12)6-7(10)2/h4-6,9H,3,13H2,1-2H3,(H,14,15)
InChIKeyMMAVNAQLJKKSEM-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.81
Rot. Bonds3

About 2-amino-N-(4-fluoro-2-methylphenyl)butanamide

2-amino-N-(4-fluoro-2-methylphenyl)butanamide (PubChem CID 43649448) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-amino-N-(4-fluoro-2-methylphenyl)butanamide.

Molecular Properties

Compound Name2-amino-N-(4-fluoro-2-methylphenyl)butanamide
PubChem CID43649448
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name2-amino-N-(4-fluoro-2-methylphenyl)butanamide
SMILESCCC(N)C(=O)Nc1ccc(F)cc1C
InChIInChI=1S/C11H15FN2O/c1-3-9(13)11(15)14-10-5-4-8(12)6-7(10)2/h4-6,9H,3,13H2,1-2H3,(H,14,15)
InChIKeyMMAVNAQLJKKSEM-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-N-(4-fluoro-2-methylphenyl)butanamide 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

(2S)-2-amino-N-(5-fluoro-2-methylphenyl)butanamide
CID 79025044
2-amino-N-(2,4-difluorophenyl)butanamide
CID 43649437
2-amino-N-(4-fluoro-2-methylphenyl)hexanamide
CID 54928581
(2S)-2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]butanamide
CID 119856697
4-(2-aminobutanoylamino)-3-methylbenzamide
CID 43706667
4-[[(2R)-2-aminobutanoyl]amino]-3-methylbenzoic acid
CID 79024587
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)butanamide
CID 103794714
4-(2-aminobutanoylamino)-3-methylbenzoic acid
CID 43714054
(2S)-2-amino-N-[4-(dimethylamino)-2-methylphenyl]butanamide
CID 79025228
2-(2-aminobutanoylamino)-4-fluorobenzoic acid
CID 61156854
N-(4-acetamido-3-methylphenyl)-2-aminobutanamide
CID 43698853
(2S)-2-amino-N-(2-fluoro-5-methylphenyl)butanamide
CID 79025128

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-fluoro-2-methylphenyl)butanamide?
The IUPAC name of 2-amino-N-(4-fluoro-2-methylphenyl)butanamide (CID 43649448) is 2-amino-N-(4-fluoro-2-methylphenyl)butanamide.
What is the SMILES notation for 2-amino-N-(4-fluoro-2-methylphenyl)butanamide?
The canonical SMILES for 2-amino-N-(4-fluoro-2-methylphenyl)butanamide is CCC(N)C(=O)Nc1ccc(F)cc1C.
What is the InChIKey of 2-amino-N-(4-fluoro-2-methylphenyl)butanamide?
The InChIKey is MMAVNAQLJKKSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-3-9(13)11(15)14-10-5-4-8(12)6-7(10)2/h4-6,9H,3,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-N-(4-fluoro-2-methylphenyl)butanamide?
2-amino-N-(4-fluoro-2-methylphenyl)butanamide has a molecular weight of 210.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-fluoro-2-methylphenyl)butanamide is sourced from PubChem (CID 43649448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).