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

C22H20FNO2 — CID 2951421

IUPACN-(4-fluorophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
SMILESCOc1ccc(C(CC(=O)Nc2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H20FNO2/c1-26-20-13-7-17(8-14-20)21(16-5-3-2-4-6-16)15-22(25)24-19-11-9-18(23)10-12-19/h2-14,21H,15H2,1H3,(H,24,25)
InChIKeyYQGHYKQSWMLODW-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.99
Rot. Bonds6

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

N-(4-fluorophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide (PubChem CID 2951421) has the molecular formula C22H20FNO2 and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
PubChem CID2951421
Molecular FormulaC22H20FNO2
Molecular Weight349.41 g/mol
Exact Mass349.15
IUPAC NameN-(4-fluorophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
SMILESCOc1ccc(C(CC(=O)Nc2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H20FNO2/c1-26-20-13-7-17(8-14-20)21(16-5-3-2-4-6-16)15-22(25)24-19-11-9-18(23)10-12-19/h2-14,21H,15H2,1H3,(H,24,25)
InChIKeyYQGHYKQSWMLODW-UHFFFAOYSA-N
XLogP4.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide?
The IUPAC name of N-(4-fluorophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide (CID 2951421) is N-(4-fluorophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide is COc1ccc(C(CC(=O)Nc2ccc(F)cc2)c2ccccc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide?
The InChIKey is YQGHYKQSWMLODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO2/c1-26-20-13-7-17(8-14-20)21(16-5-3-2-4-6-16)15-22(25)24-19-11-9-18(23)10-12-19/h2-14,21H,15H2,1H3,(H,24,25).
What are the key properties of N-(4-fluorophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide?
N-(4-fluorophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide has a molecular weight of 349.41 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 2951421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).