3-ethoxy-N-ethyl-N-[(3-fluorophenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide

C24H25FN2O3 — CID 46588810

IUPAC3-ethoxy-N-ethyl-N-[(3-fluorophenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)N(CC)Cc2cccc(F)c2)ccc1OCc1cccnc1
InChIInChI=1S/C24H25FN2O3/c1-3-27(16-18-7-5-9-21(25)13-18)24(28)20-10-11-22(23(14-20)29-4-2)30-17-19-8-6-12-26-15-19/h5-15H,3-4,16-17H2,1-2H3
InChIKeyGVHZHHUXDXIMPG-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.86
Rot. Bonds9

About 3-ethoxy-N-ethyl-N-[(3-fluorophenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide

3-ethoxy-N-ethyl-N-[(3-fluorophenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 46588810) has the molecular formula C24H25FN2O3 and a molecular weight of 408.47 g/mol. Its IUPAC name is 3-ethoxy-N-ethyl-N-[(3-fluorophenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-ethyl-N-[(3-fluorophenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID46588810
Molecular FormulaC24H25FN2O3
Molecular Weight408.47 g/mol
Exact Mass408.18
IUPAC Name3-ethoxy-N-ethyl-N-[(3-fluorophenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)N(CC)Cc2cccc(F)c2)ccc1OCc1cccnc1
InChIInChI=1S/C24H25FN2O3/c1-3-27(16-18-7-5-9-21(25)13-18)24(28)20-10-11-22(23(14-20)29-4-2)30-17-19-8-6-12-26-15-19/h5-15H,3-4,16-17H2,1-2H3
InChIKeyGVHZHHUXDXIMPG-UHFFFAOYSA-N
XLogP4.86
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-(3-fluorophenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39111619
3,4-diethoxy-N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]benzamide
CID 55396470
2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 120517164
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(pyridin-3-ylmethoxy)benzamide
CID 55773708
N-benzyl-3-ethoxy-N-propan-2-yl-4-(pyridin-3-ylmethoxy)benzamide
CID 52663723
ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682643
3-ethoxy-N-methyl-4-(pyridin-3-ylmethoxy)-N-(3,3,3-trifluoropropyl)benzamide
CID 86833584
3-ethoxy-4-[(3-fluorophenyl)methoxy]benzoic acid
CID 6462606
3-ethoxy-N-[(1R,2R)-2-hydroxycyclopentyl]-N-methyl-4-(pyridin-3-ylmethoxy)benzamide
CID 126798729
4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 47011435
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-3-ylmethoxy)benzamide
CID 46598269

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-ethyl-N-[(3-fluorophenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of 3-ethoxy-N-ethyl-N-[(3-fluorophenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide (CID 46588810) is 3-ethoxy-N-ethyl-N-[(3-fluorophenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for 3-ethoxy-N-ethyl-N-[(3-fluorophenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for 3-ethoxy-N-ethyl-N-[(3-fluorophenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide is CCOc1cc(C(=O)N(CC)Cc2cccc(F)c2)ccc1OCc1cccnc1.
What is the InChIKey of 3-ethoxy-N-ethyl-N-[(3-fluorophenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is GVHZHHUXDXIMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3/c1-3-27(16-18-7-5-9-21(25)13-18)24(28)20-10-11-22(23(14-20)29-4-2)30-17-19-8-6-12-26-15-19/h5-15H,3-4,16-17H2,1-2H3.
What are the key properties of 3-ethoxy-N-ethyl-N-[(3-fluorophenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide?
3-ethoxy-N-ethyl-N-[(3-fluorophenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 408.47 g/mol, XLogP of 4.86, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-ethyl-N-[(3-fluorophenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 46588810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).