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

C19H20Cl2N2O3 — CID 10000753

IUPAC3-cyclohexyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCCC1
InChIInChI=1S/C19H20Cl2N2O3/c1-25-16-8-7-12(9-17(16)26-13-5-3-2-4-6-13)19(24)23-18-14(20)10-22-11-15(18)21/h7-11,13H,2-6H2,1H3,(H,22,23,24)
InChIKeyKXUOLBNFVWOTRY-UHFFFAOYSA-N
MW395.29 g/mol
LogP5.36
Rot. Bonds5

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

3-cyclohexyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide (PubChem CID 10000753) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is 3-cyclohexyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-cyclohexyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide
PubChem CID10000753
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC Name3-cyclohexyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCCC1
InChIInChI=1S/C19H20Cl2N2O3/c1-25-16-8-7-12(9-17(16)26-13-5-3-2-4-6-13)19(24)23-18-14(20)10-22-11-15(18)21/h7-11,13H,2-6H2,1H3,(H,22,23,24)
InChIKeyKXUOLBNFVWOTRY-UHFFFAOYSA-N
XLogP5.36
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.29
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide?
The IUPAC name of 3-cyclohexyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide (CID 10000753) is 3-cyclohexyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide.
What is the SMILES notation for 3-cyclohexyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide?
The canonical SMILES for 3-cyclohexyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCCC1.
What is the InChIKey of 3-cyclohexyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide?
The InChIKey is KXUOLBNFVWOTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-25-16-8-7-12(9-17(16)26-13-5-3-2-4-6-13)19(24)23-18-14(20)10-22-11-15(18)21/h7-11,13H,2-6H2,1H3,(H,22,23,24).
What are the key properties of 3-cyclohexyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide?
3-cyclohexyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide has a molecular weight of 395.29 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide is sourced from PubChem (CID 10000753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).