2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide

C21H18FNO3 — CID 21368419

IUPAC2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C21H18FNO3/c1-15(25-18-13-11-16(22)12-14-18)21(24)23-19-9-5-6-10-20(19)26-17-7-3-2-4-8-17/h2-15H,1H3,(H,23,24)
InChIKeyKPMRPESMQXRVRP-UHFFFAOYSA-N
MW351.38 g/mol
LogP5.02
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide

2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide (PubChem CID 21368419) has the molecular formula C21H18FNO3 and a molecular weight of 351.38 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide
PubChem CID21368419
Molecular FormulaC21H18FNO3
Molecular Weight351.38 g/mol
Exact Mass351.13
IUPAC Name2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C21H18FNO3/c1-15(25-18-13-11-16(22)12-14-18)21(24)23-19-9-5-6-10-20(19)26-17-7-3-2-4-8-17/h2-15H,1H3,(H,23,24)
InChIKeyKPMRPESMQXRVRP-UHFFFAOYSA-N
XLogP5.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.38
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide (CID 21368419) is 2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide is CC(Oc1ccc(F)cc1)C(=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide?
The InChIKey is KPMRPESMQXRVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO3/c1-15(25-18-13-11-16(22)12-14-18)21(24)23-19-9-5-6-10-20(19)26-17-7-3-2-4-8-17/h2-15H,1H3,(H,23,24).
What are the key properties of 2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide?
2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide has a molecular weight of 351.38 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide is sourced from PubChem (CID 21368419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).