N-(4-ethoxyphenyl)-3-(4-fluorophenyl)-3-phenylpropanamide

C23H22FNO2 — CID 3889049

IUPACN-(4-ethoxyphenyl)-3-(4-fluorophenyl)-3-phenylpropanamide
SMILESCCOc1ccc(NC(=O)CC(c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H22FNO2/c1-2-27-21-14-12-20(13-15-21)25-23(26)16-22(17-6-4-3-5-7-17)18-8-10-19(24)11-9-18/h3-15,22H,2,16H2,1H3,(H,25,26)
InChIKeyWYDNHGPJKOECSJ-UHFFFAOYSA-N
MW363.43 g/mol
LogP5.39
Rot. Bonds7

About N-(4-ethoxyphenyl)-3-(4-fluorophenyl)-3-phenylpropanamide

N-(4-ethoxyphenyl)-3-(4-fluorophenyl)-3-phenylpropanamide (PubChem CID 3889049) has the molecular formula C23H22FNO2 and a molecular weight of 363.43 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-(4-fluorophenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-(4-fluorophenyl)-3-phenylpropanamide
PubChem CID3889049
Molecular FormulaC23H22FNO2
Molecular Weight363.43 g/mol
Exact Mass363.16
IUPAC NameN-(4-ethoxyphenyl)-3-(4-fluorophenyl)-3-phenylpropanamide
SMILESCCOc1ccc(NC(=O)CC(c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H22FNO2/c1-2-27-21-14-12-20(13-15-21)25-23(26)16-22(17-6-4-3-5-7-17)18-8-10-19(24)11-9-18/h3-15,22H,2,16H2,1H3,(H,25,26)
InChIKeyWYDNHGPJKOECSJ-UHFFFAOYSA-N
XLogP5.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.43
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-(4-fluorophenyl)-3-phenylpropanamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-(4-fluorophenyl)-3-phenylpropanamide (CID 3889049) is N-(4-ethoxyphenyl)-3-(4-fluorophenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-(4-fluorophenyl)-3-phenylpropanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-(4-fluorophenyl)-3-phenylpropanamide is CCOc1ccc(NC(=O)CC(c2ccccc2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-(4-fluorophenyl)-3-phenylpropanamide?
The InChIKey is WYDNHGPJKOECSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO2/c1-2-27-21-14-12-20(13-15-21)25-23(26)16-22(17-6-4-3-5-7-17)18-8-10-19(24)11-9-18/h3-15,22H,2,16H2,1H3,(H,25,26).
What are the key properties of N-(4-ethoxyphenyl)-3-(4-fluorophenyl)-3-phenylpropanamide?
N-(4-ethoxyphenyl)-3-(4-fluorophenyl)-3-phenylpropanamide has a molecular weight of 363.43 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-(4-fluorophenyl)-3-phenylpropanamide is sourced from PubChem (CID 3889049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).