3-[3-amino-4-[(2-fluorophenyl)methoxy]phenyl]-N-cyclopropylpropanamide

C19H21FN2O2 — CID 82152825

IUPAC3-[3-amino-4-[(2-fluorophenyl)methoxy]phenyl]-N-cyclopropylpropanamide
SMILESNc1cc(CCC(=O)NC2CC2)ccc1OCc1ccccc1F
InChIInChI=1S/C19H21FN2O2/c20-16-4-2-1-3-14(16)12-24-18-9-5-13(11-17(18)21)6-10-19(23)22-15-7-8-15/h1-5,9,11,15H,6-8,10,12,21H2,(H,22,23)
InChIKeyYJZMBRPLUMZBCK-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.20
Rot. Bonds7

About 3-[3-amino-4-[(2-fluorophenyl)methoxy]phenyl]-N-cyclopropylpropanamide

3-[3-amino-4-[(2-fluorophenyl)methoxy]phenyl]-N-cyclopropylpropanamide (PubChem CID 82152825) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 3-[3-amino-4-[(2-fluorophenyl)methoxy]phenyl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[3-amino-4-[(2-fluorophenyl)methoxy]phenyl]-N-cyclopropylpropanamide
PubChem CID82152825
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name3-[3-amino-4-[(2-fluorophenyl)methoxy]phenyl]-N-cyclopropylpropanamide
SMILESNc1cc(CCC(=O)NC2CC2)ccc1OCc1ccccc1F
InChIInChI=1S/C19H21FN2O2/c20-16-4-2-1-3-14(16)12-24-18-9-5-13(11-17(18)21)6-10-19(23)22-15-7-8-15/h1-5,9,11,15H,6-8,10,12,21H2,(H,22,23)
InChIKeyYJZMBRPLUMZBCK-UHFFFAOYSA-N
XLogP3.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-4-methoxyphenyl)-N-cyclopentylpropanamide
CID 39362398
4-amino-N-cyclopropyl-3-[(2-fluorophenyl)methoxy]benzamide
CID 82069752
4-[(2-fluorophenyl)methoxy]benzene-1,3-diamine
CID 142729124
4-[3-(3-fluoro-4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229751
4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide
CID 107272785
N-(4-aminocyclohexyl)-2-(2-fluorophenyl)acetamide
CID 43653105
N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 119478687
3-(2-amino-6-fluorophenoxy)-N-cyclopropylpropanamide
CID 104831210
3-(2-aminophenyl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 120608522
N-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide
CID 99949717
2-[(2-fluorophenyl)methoxy]-5-(trifluoromethyl)aniline
CID 63933444
3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120610600

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-4-[(2-fluorophenyl)methoxy]phenyl]-N-cyclopropylpropanamide?
The IUPAC name of 3-[3-amino-4-[(2-fluorophenyl)methoxy]phenyl]-N-cyclopropylpropanamide (CID 82152825) is 3-[3-amino-4-[(2-fluorophenyl)methoxy]phenyl]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[3-amino-4-[(2-fluorophenyl)methoxy]phenyl]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[3-amino-4-[(2-fluorophenyl)methoxy]phenyl]-N-cyclopropylpropanamide is Nc1cc(CCC(=O)NC2CC2)ccc1OCc1ccccc1F.
What is the InChIKey of 3-[3-amino-4-[(2-fluorophenyl)methoxy]phenyl]-N-cyclopropylpropanamide?
The InChIKey is YJZMBRPLUMZBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c20-16-4-2-1-3-14(16)12-24-18-9-5-13(11-17(18)21)6-10-19(23)22-15-7-8-15/h1-5,9,11,15H,6-8,10,12,21H2,(H,22,23).
What are the key properties of 3-[3-amino-4-[(2-fluorophenyl)methoxy]phenyl]-N-cyclopropylpropanamide?
3-[3-amino-4-[(2-fluorophenyl)methoxy]phenyl]-N-cyclopropylpropanamide has a molecular weight of 328.39 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-4-[(2-fluorophenyl)methoxy]phenyl]-N-cyclopropylpropanamide is sourced from PubChem (CID 82152825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).