N-(3,5-dichloro-4-pyridinyl)-3,4-diethoxybenzamide

C16H16Cl2N2O3 — CID 56850824

IUPACN-(3,5-dichloro-4-pyridinyl)-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OCC
InChIInChI=1S/C16H16Cl2N2O3/c1-3-22-13-6-5-10(7-14(13)23-4-2)16(21)20-15-11(17)8-19-9-12(15)18/h5-9H,3-4H2,1-2H3,(H,19,20,21)
InChIKeyBBJKNVBIXYAKII-UHFFFAOYSA-N
MW355.22 g/mol
LogP4.44
Rot. Bonds6

About N-(3,5-dichloro-4-pyridinyl)-3,4-diethoxybenzamide

N-(3,5-dichloro-4-pyridinyl)-3,4-diethoxybenzamide (PubChem CID 56850824) has the molecular formula C16H16Cl2N2O3 and a molecular weight of 355.22 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-3,4-diethoxybenzamide
PubChem CID56850824
Molecular FormulaC16H16Cl2N2O3
Molecular Weight355.22 g/mol
Exact Mass354.05
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OCC
InChIInChI=1S/C16H16Cl2N2O3/c1-3-22-13-6-5-10(7-14(13)23-4-2)16(21)20-15-11(17)8-19-9-12(15)18/h5-9H,3-4H2,1-2H3,(H,19,20,21)
InChIKeyBBJKNVBIXYAKII-UHFFFAOYSA-N
XLogP4.44
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 54.44
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
1-({3-[2-(2,4-Dichlorophenyl)ethoxy]-4-methoxyphenyl}carbonyl)-4-(pyridin-4-ylmethyl)piperazine
CID 10185372
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
1-({3-[2-(2,4-Dichlorophenyl)ethoxy]-4-ethoxyphenyl}carbonyl)-4-(pyridin-4-ylmethyl)piperazine
CID 11752638
3-[2-(2,4-dichlorophenyl)ethoxy]-4,5-dimethoxy-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052319
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-(2,4-dichlorophenyl)ethoxy]-4,5-diethoxy-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052419

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-3,4-diethoxybenzamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-3,4-diethoxybenzamide (CID 56850824) is N-(3,5-dichloro-4-pyridinyl)-3,4-diethoxybenzamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-3,4-diethoxybenzamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-3,4-diethoxybenzamide is CCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OCC.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-3,4-diethoxybenzamide?
The InChIKey is BBJKNVBIXYAKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3/c1-3-22-13-6-5-10(7-14(13)23-4-2)16(21)20-15-11(17)8-19-9-12(15)18/h5-9H,3-4H2,1-2H3,(H,19,20,21).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-3,4-diethoxybenzamide?
N-(3,5-dichloro-4-pyridinyl)-3,4-diethoxybenzamide has a molecular weight of 355.22 g/mol, XLogP of 4.44, 6 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)-3,4-diethoxybenzamide is sourced from PubChem (CID 56850824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).