2-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide

C22H25ClN2O3 — CID 108550853

IUPAC2-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide
SMILESCCc1ccccc1OCC(=O)N1CCC(NC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C22H25ClN2O3/c1-2-16-7-3-6-10-20(16)28-15-21(26)25-13-11-17(12-14-25)24-22(27)18-8-4-5-9-19(18)23/h3-10,17H,2,11-15H2,1H3,(H,24,27)
InChIKeyFLPITWUESCKQQA-UHFFFAOYSA-N
MW400.91 g/mol
LogP3.70
Rot. Bonds6

About 2-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide

2-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide (PubChem CID 108550853) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is 2-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide
PubChem CID108550853
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC Name2-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide
SMILESCCc1ccccc1OCC(=O)N1CCC(NC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C22H25ClN2O3/c1-2-16-7-3-6-10-20(16)28-15-21(26)25-13-11-17(12-14-25)24-22(27)18-8-4-5-9-19(18)23/h3-10,17H,2,11-15H2,1H3,(H,24,27)
InChIKeyFLPITWUESCKQQA-UHFFFAOYSA-N
XLogP3.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550185
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549148
2-ethyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]butanamide
CID 108555635
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]thiophene-2-carboxamide
CID 108555942
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-3-methoxypropanamide
CID 108556239
N-(1-butanoylpiperidin-4-yl)-2-chlorobenzamide
CID 110819269
2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 78760389
N-[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]-2-hydroxybenzamide
CID 108551390
3-cyclohexyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108555743
methyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate
CID 47392418
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108552579
N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]-2-methoxybenzamide
CID 108549210

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide (CID 108550853) is 2-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide is CCc1ccccc1OCC(=O)N1CCC(NC(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 2-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide?
The InChIKey is FLPITWUESCKQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3/c1-2-16-7-3-6-10-20(16)28-15-21(26)25-13-11-17(12-14-25)24-22(27)18-8-4-5-9-19(18)23/h3-10,17H,2,11-15H2,1H3,(H,24,27).
What are the key properties of 2-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide?
2-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide has a molecular weight of 400.91 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 108550853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).