3-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-2-(fluoromethyl)-4-methoxybenzamide

C19H19Cl2FN2O2 — CID 70088143

IUPAC3-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-2-(fluoromethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c(CF)c1C1CCCC1
InChIInChI=1S/C19H19Cl2FN2O2/c1-26-16-7-6-12(13(8-22)17(16)11-4-2-3-5-11)19(25)24-18-14(20)9-23-10-15(18)21/h6-7,9-11H,2-5,8H2,1H3,(H,23,24,25)
InChIKeyUXMJMIYEKAUWIM-UHFFFAOYSA-N
MW397.28 g/mol
LogP5.78
Rot. Bonds5

About 3-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-2-(fluoromethyl)-4-methoxybenzamide

3-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-2-(fluoromethyl)-4-methoxybenzamide (PubChem CID 70088143) has the molecular formula C19H19Cl2FN2O2 and a molecular weight of 397.28 g/mol. Its IUPAC name is 3-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-2-(fluoromethyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-2-(fluoromethyl)-4-methoxybenzamide
PubChem CID70088143
Molecular FormulaC19H19Cl2FN2O2
Molecular Weight397.28 g/mol
Exact Mass396.08
IUPAC Name3-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-2-(fluoromethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c(CF)c1C1CCCC1
InChIInChI=1S/C19H19Cl2FN2O2/c1-26-16-7-6-12(13(8-22)17(16)11-4-2-3-5-11)19(25)24-18-14(20)9-23-10-15(18)21/h6-7,9-11H,2-5,8H2,1H3,(H,23,24,25)
InChIKeyUXMJMIYEKAUWIM-UHFFFAOYSA-N
XLogP5.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.28
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-2-(fluoromethyl)-4-methoxybenzamide?
The IUPAC name of 3-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-2-(fluoromethyl)-4-methoxybenzamide (CID 70088143) is 3-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-2-(fluoromethyl)-4-methoxybenzamide.
What is the SMILES notation for 3-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-2-(fluoromethyl)-4-methoxybenzamide?
The canonical SMILES for 3-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-2-(fluoromethyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c(CF)c1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-2-(fluoromethyl)-4-methoxybenzamide?
The InChIKey is UXMJMIYEKAUWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2FN2O2/c1-26-16-7-6-12(13(8-22)17(16)11-4-2-3-5-11)19(25)24-18-14(20)9-23-10-15(18)21/h6-7,9-11H,2-5,8H2,1H3,(H,23,24,25).
What are the key properties of 3-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-2-(fluoromethyl)-4-methoxybenzamide?
3-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-2-(fluoromethyl)-4-methoxybenzamide has a molecular weight of 397.28 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-2-(fluoromethyl)-4-methoxybenzamide is sourced from PubChem (CID 70088143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).