4-amino-N-cyclopropyl-3-[(2-fluorophenyl)methoxy]benzamide

C17H17FN2O2 — CID 82069752

IUPAC4-amino-N-cyclopropyl-3-[(2-fluorophenyl)methoxy]benzamide
SMILESNc1ccc(C(=O)NC2CC2)cc1OCc1ccccc1F
InChIInChI=1S/C17H17FN2O2/c18-14-4-2-1-3-12(14)10-22-16-9-11(5-8-15(16)19)17(21)20-13-6-7-13/h1-5,8-9,13H,6-7,10,19H2,(H,20,21)
InChIKeyBMJCZEIPAGPJEB-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.88
Rot. Bonds5

About 4-amino-N-cyclopropyl-3-[(2-fluorophenyl)methoxy]benzamide

4-amino-N-cyclopropyl-3-[(2-fluorophenyl)methoxy]benzamide (PubChem CID 82069752) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-3-[(2-fluorophenyl)methoxy]benzamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-3-[(2-fluorophenyl)methoxy]benzamide
PubChem CID82069752
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name4-amino-N-cyclopropyl-3-[(2-fluorophenyl)methoxy]benzamide
SMILESNc1ccc(C(=O)NC2CC2)cc1OCc1ccccc1F
InChIInChI=1S/C17H17FN2O2/c18-14-4-2-1-3-12(14)10-22-16-9-11(5-8-15(16)19)17(21)20-13-6-7-13/h1-5,8-9,13H,6-7,10,19H2,(H,20,21)
InChIKeyBMJCZEIPAGPJEB-UHFFFAOYSA-N
XLogP2.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-cyclopropyl-3-[(2-fluorophenyl)methoxy]benzamide 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

ethyl 4-amino-3-[(2-fluorophenyl)methoxy]benzoate
CID 82778634
3-[3-amino-4-[(2-fluorophenyl)methoxy]phenyl]-N-cyclopropylpropanamide
CID 82152825
4-N-cyclopropyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043298
N-cyclopropyl-2-[2-[(2-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 42866306
4-amino-N-cyclooctyl-3-fluorobenzamide
CID 62679448
4-amino-N-cyclopropyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzamide
CID 82069705
4-amino-N-(4-hydroxycyclohexyl)-3-methoxybenzamide
CID 89028279
4-amino-3-(cyanomethoxy)-N-cycloheptylbenzamide
CID 82069915
3-N-cyclopentyl-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051825
4-amino-N-cyclopentyl-3-[3-(dimethylamino)propoxy]benzamide
CID 82070130
4-N-cyclopropyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109078430
4-amino-N-(4-carbamoylcyclohexyl)-3-fluorobenzamide
CID 62680438

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-3-[(2-fluorophenyl)methoxy]benzamide?
The IUPAC name of 4-amino-N-cyclopropyl-3-[(2-fluorophenyl)methoxy]benzamide (CID 82069752) is 4-amino-N-cyclopropyl-3-[(2-fluorophenyl)methoxy]benzamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-3-[(2-fluorophenyl)methoxy]benzamide?
The canonical SMILES for 4-amino-N-cyclopropyl-3-[(2-fluorophenyl)methoxy]benzamide is Nc1ccc(C(=O)NC2CC2)cc1OCc1ccccc1F.
What is the InChIKey of 4-amino-N-cyclopropyl-3-[(2-fluorophenyl)methoxy]benzamide?
The InChIKey is BMJCZEIPAGPJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c18-14-4-2-1-3-12(14)10-22-16-9-11(5-8-15(16)19)17(21)20-13-6-7-13/h1-5,8-9,13H,6-7,10,19H2,(H,20,21).
What are the key properties of 4-amino-N-cyclopropyl-3-[(2-fluorophenyl)methoxy]benzamide?
4-amino-N-cyclopropyl-3-[(2-fluorophenyl)methoxy]benzamide has a molecular weight of 300.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-3-[(2-fluorophenyl)methoxy]benzamide is sourced from PubChem (CID 82069752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).