3-[(3,5-dimethylphenoxy)methyl]-N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide

C25H26FNO3 — CID 133178007

IUPAC3-[(3,5-dimethylphenoxy)methyl]-N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(F)cc2)cc1COc1cc(C)cc(C)c1
InChIInChI=1S/C25H26FNO3/c1-16-11-17(2)13-23(12-16)30-15-21-14-20(7-10-24(21)29-4)25(28)27-18(3)19-5-8-22(26)9-6-19/h5-14,18H,15H2,1-4H3,(H,27,28)
InChIKeyZPFXNDSSKABZCB-UHFFFAOYSA-N
MW407.49 g/mol
LogP5.52
Rot. Bonds7

About 3-[(3,5-dimethylphenoxy)methyl]-N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide

3-[(3,5-dimethylphenoxy)methyl]-N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide (PubChem CID 133178007) has the molecular formula C25H26FNO3 and a molecular weight of 407.49 g/mol. Its IUPAC name is 3-[(3,5-dimethylphenoxy)methyl]-N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[(3,5-dimethylphenoxy)methyl]-N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
PubChem CID133178007
Molecular FormulaC25H26FNO3
Molecular Weight407.49 g/mol
Exact Mass407.19
IUPAC Name3-[(3,5-dimethylphenoxy)methyl]-N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(F)cc2)cc1COc1cc(C)cc(C)c1
InChIInChI=1S/C25H26FNO3/c1-16-11-17(2)13-23(12-16)30-15-21-14-20(7-10-24(21)29-4)25(28)27-18(3)19-5-8-22(26)9-6-19/h5-14,18H,15H2,1-4H3,(H,27,28)
InChIKeyZPFXNDSSKABZCB-UHFFFAOYSA-N
XLogP5.52
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 ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-[(4-methylphenoxy)methyl]-N-(1-phenylethyl)benzamide
CID 133150012
N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(naphthalen-2-yloxymethyl)benzamide
CID 133178380
N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(methoxymethyl)benzamide
CID 133179095
1-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanone
CID 43414176
4-ethoxy-N-[1-(4-fluorophenyl)ethyl]-3-[(2-propan-2-ylphenoxy)methyl]benzamide
CID 133238912
3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102
4-methoxy-3-[(3-methylphenoxy)methyl]-N-[(1S)-1-(3-pyrrol-1-ylphenyl)ethyl]benzamide
CID 51851467
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxy-3-nitrobenzamide
CID 7696865
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 30035134

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylphenoxy)methyl]-N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide?
The IUPAC name of 3-[(3,5-dimethylphenoxy)methyl]-N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide (CID 133178007) is 3-[(3,5-dimethylphenoxy)methyl]-N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for 3-[(3,5-dimethylphenoxy)methyl]-N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide?
The canonical SMILES for 3-[(3,5-dimethylphenoxy)methyl]-N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NC(C)c2ccc(F)cc2)cc1COc1cc(C)cc(C)c1.
What is the InChIKey of 3-[(3,5-dimethylphenoxy)methyl]-N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide?
The InChIKey is ZPFXNDSSKABZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO3/c1-16-11-17(2)13-23(12-16)30-15-21-14-20(7-10-24(21)29-4)25(28)27-18(3)19-5-8-22(26)9-6-19/h5-14,18H,15H2,1-4H3,(H,27,28).
What are the key properties of 3-[(3,5-dimethylphenoxy)methyl]-N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide?
3-[(3,5-dimethylphenoxy)methyl]-N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide has a molecular weight of 407.49 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylphenoxy)methyl]-N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 133178007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).