3-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]propanamide

C19H23FN2O2 — CID 109021953

IUPAC3-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCNCCc1ccccc1F
InChIInChI=1S/C19H23FN2O2/c1-24-18-9-5-3-7-16(18)14-22-19(23)11-13-21-12-10-15-6-2-4-8-17(15)20/h2-9,21H,10-14H2,1H3,(H,22,23)
InChIKeyHGFKXDWLKCKIGK-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.67
Rot. Bonds9

About 3-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]propanamide

3-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 109021953) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID109021953
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name3-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCNCCc1ccccc1F
InChIInChI=1S/C19H23FN2O2/c1-24-18-9-5-3-7-16(18)14-22-19(23)11-13-21-12-10-15-6-2-4-8-17(15)20/h2-9,21H,10-14H2,1H3,(H,22,23)
InChIKeyHGFKXDWLKCKIGK-UHFFFAOYSA-N
XLogP2.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109020694
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143
3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 109020704
3-[2-(2-fluorophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 109015003
2-[2-(2-fluorophenyl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 109000124
N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109020684
N'-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 108984898
2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 108997498
N-[2-(4-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)ethylamino]propanamide
CID 109024783
3-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 109020705
N-[(2-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
CID 109021998
3-[2-(2,4-dichlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 109020733

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]propanamide (CID 109021953) is 3-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CNC(=O)CCNCCc1ccccc1F.
What is the InChIKey of 3-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is HGFKXDWLKCKIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-24-18-9-5-3-7-16(18)14-22-19(23)11-13-21-12-10-15-6-2-4-8-17(15)20/h2-9,21H,10-14H2,1H3,(H,22,23).
What are the key properties of 3-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]propanamide?
3-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 330.40 g/mol, XLogP of 2.67, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 109021953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).