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

C14H12Cl2N2O3 — CID 10042087

IUPACN-(3,5-dichloro-4-pyridinyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC
InChIInChI=1S/C14H12Cl2N2O3/c1-20-11-4-3-8(5-12(11)21-2)14(19)18-13-9(15)6-17-7-10(13)16/h3-7H,1-2H3,(H,17,18,19)
InChIKeyWFWCXZPAPUKWOC-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.66
Rot. Bonds4

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

N-(3,5-dichloro-4-pyridinyl)-3,4-dimethoxybenzamide (PubChem CID 10042087) has the molecular formula C14H12Cl2N2O3 and a molecular weight of 327.17 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-3,4-dimethoxybenzamide
PubChem CID10042087
Molecular FormulaC14H12Cl2N2O3
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC
InChIInChI=1S/C14H12Cl2N2O3/c1-20-11-4-3-8(5-12(11)21-2)14(19)18-13-9(15)6-17-7-10(13)16/h3-7H,1-2H3,(H,17,18,19)
InChIKeyWFWCXZPAPUKWOC-UHFFFAOYSA-N
XLogP3.66
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 53.66
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)-3,4-dimethoxybenzamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-3,4-dimethoxybenzamide (CID 10042087) is N-(3,5-dichloro-4-pyridinyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-3,4-dimethoxybenzamide?
The InChIKey is WFWCXZPAPUKWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3/c1-20-11-4-3-8(5-12(11)21-2)14(19)18-13-9(15)6-17-7-10(13)16/h3-7H,1-2H3,(H,17,18,19).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-3,4-dimethoxybenzamide?
N-(3,5-dichloro-4-pyridinyl)-3,4-dimethoxybenzamide has a molecular weight of 327.17 g/mol, XLogP of 3.66, 4 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-dimethoxybenzamide is sourced from PubChem (CID 10042087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).