2-(4-fluorophenoxy)-N-[4-[4-(1-methoxyethyl)phenyl]phenyl]-2-methylpropanamide

C25H26FNO3 — CID 164531778

IUPAC2-(4-fluorophenoxy)-N-[4-[4-(1-methoxyethyl)phenyl]phenyl]-2-methylpropanamide
SMILESCOC(C)c1ccc(-c2ccc(NC(=O)C(C)(C)Oc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C25H26FNO3/c1-17(29-4)18-5-7-19(8-6-18)20-9-13-22(14-10-20)27-24(28)25(2,3)30-23-15-11-21(26)12-16-23/h5-17H,1-4H3,(H,27,28)
InChIKeyBKOIHTSRLQOMRR-UHFFFAOYSA-N
MW407.49 g/mol
LogP6.00
Rot. Bonds7

About 2-(4-fluorophenoxy)-N-[4-[4-(1-methoxyethyl)phenyl]phenyl]-2-methylpropanamide

2-(4-fluorophenoxy)-N-[4-[4-(1-methoxyethyl)phenyl]phenyl]-2-methylpropanamide (PubChem CID 164531778) has the molecular formula C25H26FNO3 and a molecular weight of 407.49 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[4-[4-(1-methoxyethyl)phenyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[4-[4-(1-methoxyethyl)phenyl]phenyl]-2-methylpropanamide
PubChem CID164531778
Molecular FormulaC25H26FNO3
Molecular Weight407.49 g/mol
Exact Mass407.19
IUPAC Name2-(4-fluorophenoxy)-N-[4-[4-(1-methoxyethyl)phenyl]phenyl]-2-methylpropanamide
SMILESCOC(C)c1ccc(-c2ccc(NC(=O)C(C)(C)Oc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C25H26FNO3/c1-17(29-4)18-5-7-19(8-6-18)20-9-13-22(14-10-20)27-24(28)25(2,3)30-23-15-11-21(26)12-16-23/h5-17H,1-4H3,(H,27,28)
InChIKeyBKOIHTSRLQOMRR-UHFFFAOYSA-N
XLogP6.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.49
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-ethoxyphenyl)phenyl]-2-(4-fluorophenoxy)-2-methylpropanamide
CID 164531783
2-(4-fluorophenoxy)-N-[4-(2-hydroxyethyl)phenyl]-2-methylpropanamide
CID 110902168
dimethyl 5-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]benzene-1,3-dicarboxylate
CID 30855027
2-(4-fluorophenoxy)-2-methylpropanehydrazide
CID 43236623
2-(4-tert-butylphenoxy)-2-methyl-N-(4-methylphenyl)propanamide
CID 17314078
2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methylpropanamide
CID 100518354
2-(4-fluorophenoxy)-N-(2-hydroxyphenyl)-2-methylpropanamide
CID 86978390
N-(2,4-difluorophenyl)-2-(4-fluorophenoxy)-2-methylpropanamide
CID 30854578
2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N-propan-2-ylbenzamide
CID 86982882
2-(4-fluorophenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55810917
2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]-2-methylpropanoic acid
CID 20994189
N-(4-fluorophenyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110438737

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[4-[4-(1-methoxyethyl)phenyl]phenyl]-2-methylpropanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[4-[4-(1-methoxyethyl)phenyl]phenyl]-2-methylpropanamide (CID 164531778) is 2-(4-fluorophenoxy)-N-[4-[4-(1-methoxyethyl)phenyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[4-[4-(1-methoxyethyl)phenyl]phenyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[4-[4-(1-methoxyethyl)phenyl]phenyl]-2-methylpropanamide is COC(C)c1ccc(-c2ccc(NC(=O)C(C)(C)Oc3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[4-[4-(1-methoxyethyl)phenyl]phenyl]-2-methylpropanamide?
The InChIKey is BKOIHTSRLQOMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO3/c1-17(29-4)18-5-7-19(8-6-18)20-9-13-22(14-10-20)27-24(28)25(2,3)30-23-15-11-21(26)12-16-23/h5-17H,1-4H3,(H,27,28).
What are the key properties of 2-(4-fluorophenoxy)-N-[4-[4-(1-methoxyethyl)phenyl]phenyl]-2-methylpropanamide?
2-(4-fluorophenoxy)-N-[4-[4-(1-methoxyethyl)phenyl]phenyl]-2-methylpropanamide has a molecular weight of 407.49 g/mol, XLogP of 6.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[4-[4-(1-methoxyethyl)phenyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 164531778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).