N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide

C17H17FN2O3 — CID 108954809

IUPACN-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
SMILESCCOc1ccc(NC(=O)CC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O3/c1-2-23-15-9-7-14(8-10-15)20-17(22)11-16(21)19-13-5-3-12(18)4-6-13/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyWSIDSQITNHEEIB-UHFFFAOYSA-N
MW316.33 g/mol
LogP3.19
Rot. Bonds6

About N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide

N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide (PubChem CID 108954809) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
PubChem CID108954809
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC NameN-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
SMILESCCOc1ccc(NC(=O)CC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O3/c1-2-23-15-9-7-14(8-10-15)20-17(22)11-16(21)19-13-5-3-12(18)4-6-13/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyWSIDSQITNHEEIB-UHFFFAOYSA-N
XLogP3.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388
N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide
CID 26218143
4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
CID 9416291
N-[2-(4-ethoxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 2967136
[2-(4-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyphenyl)acetate
CID 71820864
[2-(4-fluoroanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 29378856
N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021260
N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 18160151
N-(4-ethoxyphenyl)-4-[3-(4-fluorophenyl)propanoylamino]benzamide
CID 18279791
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 126395320
2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 4732741
N-(4-ethylphenyl)-2-(4-fluorophenoxy)acetamide
CID 893586

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide?
The IUPAC name of N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide (CID 108954809) is N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide is CCOc1ccc(NC(=O)CC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide?
The InChIKey is WSIDSQITNHEEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-2-23-15-9-7-14(8-10-15)20-17(22)11-16(21)19-13-5-3-12(18)4-6-13/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide?
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide has a molecular weight of 316.33 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide is sourced from PubChem (CID 108954809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).