N-(3,5-dichloro-4-pyridinyl)-2,3,4-trimethoxybenzamide

C15H14Cl2N2O4 — CID 118707986

IUPACN-(3,5-dichloro-4-pyridinyl)-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c(OC)c1OC
InChIInChI=1S/C15H14Cl2N2O4/c1-21-11-5-4-8(13(22-2)14(11)23-3)15(20)19-12-9(16)6-18-7-10(12)17/h4-7H,1-3H3,(H,18,19,20)
InChIKeyUZPDIDQXBHSLFB-UHFFFAOYSA-N
MW357.19 g/mol
LogP3.67
Rot. Bonds5

About N-(3,5-dichloro-4-pyridinyl)-2,3,4-trimethoxybenzamide

N-(3,5-dichloro-4-pyridinyl)-2,3,4-trimethoxybenzamide (PubChem CID 118707986) has the molecular formula C15H14Cl2N2O4 and a molecular weight of 357.19 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-2,3,4-trimethoxybenzamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-2,3,4-trimethoxybenzamide
PubChem CID118707986
Molecular FormulaC15H14Cl2N2O4
Molecular Weight357.19 g/mol
Exact Mass356.03
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c(OC)c1OC
InChIInChI=1S/C15H14Cl2N2O4/c1-21-11-5-4-8(13(22-2)14(11)23-3)15(20)19-12-9(16)6-18-7-10(12)17/h4-7H,1-3H3,(H,18,19,20)
InChIKeyUZPDIDQXBHSLFB-UHFFFAOYSA-N
XLogP3.67
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.19
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-2,3,4-trimethoxybenzamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-2,3,4-trimethoxybenzamide (CID 118707986) is N-(3,5-dichloro-4-pyridinyl)-2,3,4-trimethoxybenzamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-2,3,4-trimethoxybenzamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-2,3,4-trimethoxybenzamide is COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c(OC)c1OC.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-2,3,4-trimethoxybenzamide?
The InChIKey is UZPDIDQXBHSLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O4/c1-21-11-5-4-8(13(22-2)14(11)23-3)15(20)19-12-9(16)6-18-7-10(12)17/h4-7H,1-3H3,(H,18,19,20).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-2,3,4-trimethoxybenzamide?
N-(3,5-dichloro-4-pyridinyl)-2,3,4-trimethoxybenzamide has a molecular weight of 357.19 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-2,3,4-trimethoxybenzamide is sourced from PubChem (CID 118707986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).