3-(5-chloro-2-pyridinyl)-N-(3-cyclopentyloxypropyl)benzamide

C20H23ClN2O2 — CID 118770666

IUPAC3-(5-chloro-2-pyridinyl)-N-(3-cyclopentyloxypropyl)benzamide
SMILESO=C(NCCCOC1CCCC1)c1cccc(-c2ccc(Cl)cn2)c1
InChIInChI=1S/C20H23ClN2O2/c21-17-9-10-19(23-14-17)15-5-3-6-16(13-15)20(24)22-11-4-12-25-18-7-1-2-8-18/h3,5-6,9-10,13-14,18H,1-2,4,7-8,11-12H2,(H,22,24)
InChIKeyJUDFVHTTXJSVED-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.48
Rot. Bonds7

About 3-(5-chloro-2-pyridinyl)-N-(3-cyclopentyloxypropyl)benzamide

3-(5-chloro-2-pyridinyl)-N-(3-cyclopentyloxypropyl)benzamide (PubChem CID 118770666) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 3-(5-chloro-2-pyridinyl)-N-(3-cyclopentyloxypropyl)benzamide.

Molecular Properties

Compound Name3-(5-chloro-2-pyridinyl)-N-(3-cyclopentyloxypropyl)benzamide
PubChem CID118770666
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name3-(5-chloro-2-pyridinyl)-N-(3-cyclopentyloxypropyl)benzamide
SMILESO=C(NCCCOC1CCCC1)c1cccc(-c2ccc(Cl)cn2)c1
InChIInChI=1S/C20H23ClN2O2/c21-17-9-10-19(23-14-17)15-5-3-6-16(13-15)20(24)22-11-4-12-25-18-7-1-2-8-18/h3,5-6,9-10,13-14,18H,1-2,4,7-8,11-12H2,(H,22,24)
InChIKeyJUDFVHTTXJSVED-UHFFFAOYSA-N
XLogP4.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide
CID 11749459
2-chloro-N-((1-hydroxycycloheptyl)methyl)-5-(5-methylpyridin-2-yl)benzamide
CID 18438690
2-chloro-N-((1-hydroxycycloheptyl)methyl)-5-(pyridin-2-yl)benzamide
CID 46887477
2-chloro-5-(5-chloropyridin-2-yl)-N-((1-hydroxycycloheptyl)methyl)benzamide
CID 46887560
6-[4-Chloro-3-[2-(2-chlorophenyl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 56665515
2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(5-chloro-2-pyridinyl)benzamide
CID 56668947
Pyridine-2-carboxylic acid [3-(4-chloro-benzoylamino)-propyl]-amide
CID 2985209
N-[3-(4-Chloro-benzoylamino)-propyl]-6-methyl-nicotinamide
CID 6498651
3-(5-chloro-2-pyridinyl)-N-[(2S)-1-hydroxypropan-2-yl]-5-[methyl(2-methylpropanoyl)amino]benzamide
CID 49848837
6-(3-Chloro-phenyl)-pyridine-2-carboxylic acid (tetrahydro-pyran-4-yl)-amide
CID 71105542
6-(3-Chloro-phenyl)-pyridine-2-carboxylic acid (2-methyl-tetrahydro-pyran-4-yl)-amide
CID 71105549
US10807959, Example B23
CID 146370973

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-pyridinyl)-N-(3-cyclopentyloxypropyl)benzamide?
The IUPAC name of 3-(5-chloro-2-pyridinyl)-N-(3-cyclopentyloxypropyl)benzamide (CID 118770666) is 3-(5-chloro-2-pyridinyl)-N-(3-cyclopentyloxypropyl)benzamide.
What is the SMILES notation for 3-(5-chloro-2-pyridinyl)-N-(3-cyclopentyloxypropyl)benzamide?
The canonical SMILES for 3-(5-chloro-2-pyridinyl)-N-(3-cyclopentyloxypropyl)benzamide is O=C(NCCCOC1CCCC1)c1cccc(-c2ccc(Cl)cn2)c1.
What is the InChIKey of 3-(5-chloro-2-pyridinyl)-N-(3-cyclopentyloxypropyl)benzamide?
The InChIKey is JUDFVHTTXJSVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c21-17-9-10-19(23-14-17)15-5-3-6-16(13-15)20(24)22-11-4-12-25-18-7-1-2-8-18/h3,5-6,9-10,13-14,18H,1-2,4,7-8,11-12H2,(H,22,24).
What are the key properties of 3-(5-chloro-2-pyridinyl)-N-(3-cyclopentyloxypropyl)benzamide?
3-(5-chloro-2-pyridinyl)-N-(3-cyclopentyloxypropyl)benzamide has a molecular weight of 358.87 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-pyridinyl)-N-(3-cyclopentyloxypropyl)benzamide is sourced from PubChem (CID 118770666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).