N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-propoxybenzamide

C16H16Cl2N2O3 — CID 56850690

IUPACN-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-propoxybenzamide
SMILESCCCOc1cc(C(=O)Nc2c(Cl)cncc2Cl)ccc1OC
InChIInChI=1S/C16H16Cl2N2O3/c1-3-6-23-14-7-10(4-5-13(14)22-2)16(21)20-15-11(17)8-19-9-12(15)18/h4-5,7-9H,3,6H2,1-2H3,(H,19,20,21)
InChIKeyCOPKIULYTSVJJF-UHFFFAOYSA-N
MW355.22 g/mol
LogP4.44
Rot. Bonds6

About N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-propoxybenzamide

N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-propoxybenzamide (PubChem CID 56850690) has the molecular formula C16H16Cl2N2O3 and a molecular weight of 355.22 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-propoxybenzamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-propoxybenzamide
PubChem CID56850690
Molecular FormulaC16H16Cl2N2O3
Molecular Weight355.22 g/mol
Exact Mass354.05
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-propoxybenzamide
SMILESCCCOc1cc(C(=O)Nc2c(Cl)cncc2Cl)ccc1OC
InChIInChI=1S/C16H16Cl2N2O3/c1-3-6-23-14-7-10(4-5-13(14)22-2)16(21)20-15-11(17)8-19-9-12(15)18/h4-5,7-9H,3,6H2,1-2H3,(H,19,20,21)
InChIKeyCOPKIULYTSVJJF-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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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-propoxybenzamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-propoxybenzamide (CID 56850690) is N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-propoxybenzamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-propoxybenzamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-propoxybenzamide is CCCOc1cc(C(=O)Nc2c(Cl)cncc2Cl)ccc1OC.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-propoxybenzamide?
The InChIKey is COPKIULYTSVJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3/c1-3-6-23-14-7-10(4-5-13(14)22-2)16(21)20-15-11(17)8-19-9-12(15)18/h4-5,7-9H,3,6H2,1-2H3,(H,19,20,21).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-propoxybenzamide?
N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-propoxybenzamide 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)-4-methoxy-3-propoxybenzamide is sourced from PubChem (CID 56850690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).