N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylamino]propanamide

C18H21FN2O2 — CID 109021260

IUPACN-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylamino]propanamide
SMILESCCOc1ccc(NC(=O)CCNCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O2/c1-2-23-17-9-7-16(8-10-17)21-18(22)11-12-20-13-14-3-5-15(19)6-4-14/h3-10,20H,2,11-13H2,1H3,(H,21,22)
InChIKeyOUSUMEGOFGUFBR-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.34
Rot. Bonds8

About N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylamino]propanamide

N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylamino]propanamide (PubChem CID 109021260) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylamino]propanamide
PubChem CID109021260
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC NameN-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylamino]propanamide
SMILESCCOc1ccc(NC(=O)CCNCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O2/c1-2-23-17-9-7-16(8-10-17)21-18(22)11-12-20-13-14-3-5-15(19)6-4-14/h3-10,20H,2,11-13H2,1H3,(H,21,22)
InChIKeyOUSUMEGOFGUFBR-UHFFFAOYSA-N
XLogP3.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.34
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-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809
N-(4-bromophenyl)-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021254
N-(4-ethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019679
N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 18160151
N-(4-ethoxyphenyl)-4-[3-(4-fluorophenyl)propanoylamino]benzamide
CID 18279791
N'-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2202978
N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021226
N-(4-ethoxyphenyl)-3-(2-methylpropylamino)propanamide
CID 109012855
3-(ethylamino)-N-(4-fluorophenyl)propanamide
CID 62832288
[2-(4-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyphenyl)acetate
CID 71820864
3-(4-fluorophenoxy)-N-(4-propylphenyl)propanamide
CID 112816800

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylamino]propanamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylamino]propanamide (CID 109021260) is N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylamino]propanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylamino]propanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylamino]propanamide is CCOc1ccc(NC(=O)CCNCc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylamino]propanamide?
The InChIKey is OUSUMEGOFGUFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-2-23-17-9-7-16(8-10-17)21-18(22)11-12-20-13-14-3-5-15(19)6-4-14/h3-10,20H,2,11-13H2,1H3,(H,21,22).
What are the key properties of N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylamino]propanamide?
N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylamino]propanamide has a molecular weight of 316.38 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylamino]propanamide is sourced from PubChem (CID 109021260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).