N-(3,5-dichloro-4-pyridinyl)-3-ethoxy-4-methoxybenzamide

C15H14Cl2N2O3 — CID 56850689

IUPACN-(3,5-dichloro-4-pyridinyl)-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)Nc2c(Cl)cncc2Cl)ccc1OC
InChIInChI=1S/C15H14Cl2N2O3/c1-3-22-13-6-9(4-5-12(13)21-2)15(20)19-14-10(16)7-18-8-11(14)17/h4-8H,3H2,1-2H3,(H,18,19,20)
InChIKeyBNILZSJXXDACBM-UHFFFAOYSA-N
MW341.19 g/mol
LogP4.05
Rot. Bonds5

About N-(3,5-dichloro-4-pyridinyl)-3-ethoxy-4-methoxybenzamide

N-(3,5-dichloro-4-pyridinyl)-3-ethoxy-4-methoxybenzamide (PubChem CID 56850689) has the molecular formula C15H14Cl2N2O3 and a molecular weight of 341.19 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-3-ethoxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-3-ethoxy-4-methoxybenzamide
PubChem CID56850689
Molecular FormulaC15H14Cl2N2O3
Molecular Weight341.19 g/mol
Exact Mass340.04
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)Nc2c(Cl)cncc2Cl)ccc1OC
InChIInChI=1S/C15H14Cl2N2O3/c1-3-22-13-6-9(4-5-12(13)21-2)15(20)19-14-10(16)7-18-8-11(14)17/h4-8H,3H2,1-2H3,(H,18,19,20)
InChIKeyBNILZSJXXDACBM-UHFFFAOYSA-N
XLogP4.05
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Roflumilast
CID 449193
Piclamilast
CID 154575
3-[2-(2,4-Dichlorophenyl)ethoxy]-4-methoxy-N-[(1-pyridin-4-ylpiperidin-4-YL)methyl]benzamide
CID 6420136
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-{[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl}benzamide
CID 11398411
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-{[1-(2-methylpyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 11466687
3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxy-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052325
3-[2-(5-chloropyridin-2-yl)ethoxy]-4-methoxy-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052339
3-[2-(2,4-dichlorophenyl)ethoxy]-4-(propan-2-yloxy)-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052392
3-[2-(4-chlorophenyl)ethoxy]-4-methoxy-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396258
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1-benzofuran-4-carboxamide
CID 44562326
1-({3-[2-(2,4-Dichlorophenyl)ethoxy]-4-methoxyphenyl}carbonyl)-4-(pyridin-4-yl)piperazine
CID 11329232
3-Oxybenzamide 82
CID 11386766

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-3-ethoxy-4-methoxybenzamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-3-ethoxy-4-methoxybenzamide (CID 56850689) is N-(3,5-dichloro-4-pyridinyl)-3-ethoxy-4-methoxybenzamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-3-ethoxy-4-methoxybenzamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-3-ethoxy-4-methoxybenzamide is CCOc1cc(C(=O)Nc2c(Cl)cncc2Cl)ccc1OC.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-3-ethoxy-4-methoxybenzamide?
The InChIKey is BNILZSJXXDACBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3/c1-3-22-13-6-9(4-5-12(13)21-2)15(20)19-14-10(16)7-18-8-11(14)17/h4-8H,3H2,1-2H3,(H,18,19,20).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-3-ethoxy-4-methoxybenzamide?
N-(3,5-dichloro-4-pyridinyl)-3-ethoxy-4-methoxybenzamide has a molecular weight of 341.19 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-3-ethoxy-4-methoxybenzamide is sourced from PubChem (CID 56850689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).