N-(3-chloro-2-pyridinyl)-3-cyclopentyloxy-4-methoxybenzamide

C18H19ClN2O3 — CID 10089015

IUPACN-(3-chloro-2-pyridinyl)-3-cyclopentyloxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ncccc2Cl)cc1OC1CCCC1
InChIInChI=1S/C18H19ClN2O3/c1-23-15-9-8-12(11-16(15)24-13-5-2-3-6-13)18(22)21-17-14(19)7-4-10-20-17/h4,7-11,13H,2-3,5-6H2,1H3,(H,20,21,22)
InChIKeyXXYQLBUAQBTASC-UHFFFAOYSA-N
MW346.81 g/mol
LogP4.32
Rot. Bonds5

About N-(3-chloro-2-pyridinyl)-3-cyclopentyloxy-4-methoxybenzamide

N-(3-chloro-2-pyridinyl)-3-cyclopentyloxy-4-methoxybenzamide (PubChem CID 10089015) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-3-cyclopentyloxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-3-cyclopentyloxy-4-methoxybenzamide
PubChem CID10089015
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-(3-chloro-2-pyridinyl)-3-cyclopentyloxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ncccc2Cl)cc1OC1CCCC1
InChIInChI=1S/C18H19ClN2O3/c1-23-15-9-8-12(11-16(15)24-13-5-2-3-6-13)18(22)21-17-14(19)7-4-10-20-17/h4,7-11,13H,2-3,5-6H2,1H3,(H,20,21,22)
InChIKeyXXYQLBUAQBTASC-UHFFFAOYSA-N
XLogP4.32
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-3-cyclopentyloxy-4-methoxybenzamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-3-cyclopentyloxy-4-methoxybenzamide (CID 10089015) is N-(3-chloro-2-pyridinyl)-3-cyclopentyloxy-4-methoxybenzamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-3-cyclopentyloxy-4-methoxybenzamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-3-cyclopentyloxy-4-methoxybenzamide is COc1ccc(C(=O)Nc2ncccc2Cl)cc1OC1CCCC1.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-3-cyclopentyloxy-4-methoxybenzamide?
The InChIKey is XXYQLBUAQBTASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-23-15-9-8-12(11-16(15)24-13-5-2-3-6-13)18(22)21-17-14(19)7-4-10-20-17/h4,7-11,13H,2-3,5-6H2,1H3,(H,20,21,22).
What are the key properties of N-(3-chloro-2-pyridinyl)-3-cyclopentyloxy-4-methoxybenzamide?
N-(3-chloro-2-pyridinyl)-3-cyclopentyloxy-4-methoxybenzamide has a molecular weight of 346.81 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-3-cyclopentyloxy-4-methoxybenzamide is sourced from PubChem (CID 10089015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).