3-chloro-4-ethoxy-5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]benzamide

C23H23ClN2O5 — CID 55800500

IUPAC3-chloro-4-ethoxy-5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]benzamide
SMILESCCOc1c(Cl)cc(C(=O)NCc2ccc(Oc3cccc(OC)c3)nc2)cc1OC
InChIInChI=1S/C23H23ClN2O5/c1-4-30-22-19(24)10-16(11-20(22)29-3)23(27)26-14-15-8-9-21(25-13-15)31-18-7-5-6-17(12-18)28-2/h5-13H,4,14H2,1-3H3,(H,26,27)
InChIKeyGWXNNTKFMXDNQW-UHFFFAOYSA-N
MW442.90 g/mol
LogP4.87
Rot. Bonds9

About 3-chloro-4-ethoxy-5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]benzamide

3-chloro-4-ethoxy-5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]benzamide (PubChem CID 55800500) has the molecular formula C23H23ClN2O5 and a molecular weight of 442.90 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]benzamide
PubChem CID55800500
Molecular FormulaC23H23ClN2O5
Molecular Weight442.90 g/mol
Exact Mass442.13
IUPAC Name3-chloro-4-ethoxy-5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]benzamide
SMILESCCOc1c(Cl)cc(C(=O)NCc2ccc(Oc3cccc(OC)c3)nc2)cc1OC
InChIInChI=1S/C23H23ClN2O5/c1-4-30-22-19(24)10-16(11-20(22)29-3)23(27)26-14-15-8-9-21(25-13-15)31-18-7-5-6-17(12-18)28-2/h5-13H,4,14H2,1-3H3,(H,26,27)
InChIKeyGWXNNTKFMXDNQW-UHFFFAOYSA-N
XLogP4.87
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.90
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-chloro-4-ethoxy-5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]benzamide with MolForge

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Related Compounds

3-chloro-4,5-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51305940
3-chloro-5-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propoxybenzamide
CID 51305983
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide
CID 55800754
5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55800919
5-chloro-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]thiophene-2-carboxamide
CID 55800565
1-[(2-chlorophenyl)methyl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide
CID 55800503
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55800855
N-[(3-acetamidophenyl)methyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 39572991
5-ethyl-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide
CID 78901654
3-chloro-N-[(3,5-difluorophenyl)methyl]-4-ethoxy-5-methoxybenzamide
CID 37392157
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
4-bromo-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 55858376

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 3-chloro-4-ethoxy-5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]benzamide (CID 55800500) is 3-chloro-4-ethoxy-5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]benzamide is CCOc1c(Cl)cc(C(=O)NCc2ccc(Oc3cccc(OC)c3)nc2)cc1OC.
What is the InChIKey of 3-chloro-4-ethoxy-5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]benzamide?
The InChIKey is GWXNNTKFMXDNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O5/c1-4-30-22-19(24)10-16(11-20(22)29-3)23(27)26-14-15-8-9-21(25-13-15)31-18-7-5-6-17(12-18)28-2/h5-13H,4,14H2,1-3H3,(H,26,27).
What are the key properties of 3-chloro-4-ethoxy-5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]benzamide?
3-chloro-4-ethoxy-5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]benzamide has a molecular weight of 442.90 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 55800500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).