N-(3-amino-4-fluorophenyl)-2-cyclobutylacetamide

C12H15FN2O — CID 103805248

IUPACN-(3-amino-4-fluorophenyl)-2-cyclobutylacetamide
SMILESNc1cc(NC(=O)CC2CCC2)ccc1F
InChIInChI=1S/C12H15FN2O/c13-10-5-4-9(7-11(10)14)15-12(16)6-8-2-1-3-8/h4-5,7-8H,1-3,6,14H2,(H,15,16)
InChIKeyMBNDEMOVEPUEMX-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.54
Rot. Bonds3

About N-(3-amino-4-fluorophenyl)-2-cyclobutylacetamide

N-(3-amino-4-fluorophenyl)-2-cyclobutylacetamide (PubChem CID 103805248) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-2-cyclobutylacetamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-2-cyclobutylacetamide
PubChem CID103805248
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC NameN-(3-amino-4-fluorophenyl)-2-cyclobutylacetamide
SMILESNc1cc(NC(=O)CC2CCC2)ccc1F
InChIInChI=1S/C12H15FN2O/c13-10-5-4-9(7-11(10)14)15-12(16)6-8-2-1-3-8/h4-5,7-8H,1-3,6,14H2,(H,15,16)
InChIKeyMBNDEMOVEPUEMX-UHFFFAOYSA-N
XLogP2.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(3-amino-4-fluorophenyl)-2-cyclobutylacetamide 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

N-(3-amino-4-fluorophenyl)-2-(thian-4-yl)acetamide
CID 83146084
N-(3-amino-4-methylphenyl)-2-cyclohexylacetamide
CID 43209699
N-(3-amino-4-ethylphenyl)-2-cyclohexylacetamide
CID 43550224
N-(3-amino-4-fluorophenyl)-4-(cyclopentylmethoxy)butanamide
CID 66322803
N-(3-amino-4-fluorophenyl)-3-(cyclopentylmethylsulfinyl)propanamide
CID 63119671
N-(3-amino-4-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 107227198
N-(3-cyano-4-fluorophenyl)-2-cyclopentylacetamide
CID 62315620
N-(3-amino-4-fluorophenyl)-2-[cyclopentyl(ethyl)amino]acetamide
CID 43540705
2-cyclobutyl-N-(4-formylphenyl)acetamide
CID 106912258
2-(4-cyclohexylcyclohexyl)-N-(3,4-difluorophenyl)acetamide
CID 121325202
2-cyclopentyl-N-[3-fluoro-4-(methylamino)phenyl]acetamide
CID 167956029
2-cyclohexyl-N-(4-fluoro-3-nitrophenyl)acetamide
CID 4784963

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-2-cyclobutylacetamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-2-cyclobutylacetamide (CID 103805248) is N-(3-amino-4-fluorophenyl)-2-cyclobutylacetamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-2-cyclobutylacetamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-2-cyclobutylacetamide is Nc1cc(NC(=O)CC2CCC2)ccc1F.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-2-cyclobutylacetamide?
The InChIKey is MBNDEMOVEPUEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c13-10-5-4-9(7-11(10)14)15-12(16)6-8-2-1-3-8/h4-5,7-8H,1-3,6,14H2,(H,15,16).
What are the key properties of N-(3-amino-4-fluorophenyl)-2-cyclobutylacetamide?
N-(3-amino-4-fluorophenyl)-2-cyclobutylacetamide has a molecular weight of 222.26 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-2-cyclobutylacetamide is sourced from PubChem (CID 103805248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).