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

C17H18Cl2N2O3 — CID 10021978

IUPAC3-butoxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide
SMILESCCCCOc1cc(C(=O)Nc2c(Cl)cncc2Cl)ccc1OC
InChIInChI=1S/C17H18Cl2N2O3/c1-3-4-7-24-15-8-11(5-6-14(15)23-2)17(22)21-16-12(18)9-20-10-13(16)19/h5-6,8-10H,3-4,7H2,1-2H3,(H,20,21,22)
InChIKeyAEVXMUCLERMJMB-UHFFFAOYSA-N
MW369.25 g/mol
LogP4.83
Rot. Bonds7

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

3-butoxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide (PubChem CID 10021978) has the molecular formula C17H18Cl2N2O3 and a molecular weight of 369.25 g/mol. Its IUPAC name is 3-butoxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-butoxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide
PubChem CID10021978
Molecular FormulaC17H18Cl2N2O3
Molecular Weight369.25 g/mol
Exact Mass368.07
IUPAC Name3-butoxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide
SMILESCCCCOc1cc(C(=O)Nc2c(Cl)cncc2Cl)ccc1OC
InChIInChI=1S/C17H18Cl2N2O3/c1-3-4-7-24-15-8-11(5-6-14(15)23-2)17(22)21-16-12(18)9-20-10-13(16)19/h5-6,8-10H,3-4,7H2,1-2H3,(H,20,21,22)
InChIKeyAEVXMUCLERMJMB-UHFFFAOYSA-N
XLogP4.83
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide?
The IUPAC name of 3-butoxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide (CID 10021978) is 3-butoxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide.
What is the SMILES notation for 3-butoxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide?
The canonical SMILES for 3-butoxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide is CCCCOc1cc(C(=O)Nc2c(Cl)cncc2Cl)ccc1OC.
What is the InChIKey of 3-butoxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide?
The InChIKey is AEVXMUCLERMJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3/c1-3-4-7-24-15-8-11(5-6-14(15)23-2)17(22)21-16-12(18)9-20-10-13(16)19/h5-6,8-10H,3-4,7H2,1-2H3,(H,20,21,22).
What are the key properties of 3-butoxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide?
3-butoxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide has a molecular weight of 369.25 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide is sourced from PubChem (CID 10021978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).