4-chloro-2-[2-oxo-2-(4-piperidin-1-ylanilino)ethoxy]benzamide

C20H22ClN3O3 — CID 60601304

IUPAC4-chloro-2-[2-oxo-2-(4-piperidin-1-ylanilino)ethoxy]benzamide
SMILESNC(=O)c1ccc(Cl)cc1OCC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H22ClN3O3/c21-14-4-9-17(20(22)26)18(12-14)27-13-19(25)23-15-5-7-16(8-6-15)24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13H2,(H2,22,26)(H,23,25)
InChIKeyPNGKUTUKJWUDCF-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.45
Rot. Bonds6

About 4-chloro-2-[2-oxo-2-(4-piperidin-1-ylanilino)ethoxy]benzamide

4-chloro-2-[2-oxo-2-(4-piperidin-1-ylanilino)ethoxy]benzamide (PubChem CID 60601304) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 4-chloro-2-[2-oxo-2-(4-piperidin-1-ylanilino)ethoxy]benzamide.

Molecular Properties

Compound Name4-chloro-2-[2-oxo-2-(4-piperidin-1-ylanilino)ethoxy]benzamide
PubChem CID60601304
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name4-chloro-2-[2-oxo-2-(4-piperidin-1-ylanilino)ethoxy]benzamide
SMILESNC(=O)c1ccc(Cl)cc1OCC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H22ClN3O3/c21-14-4-9-17(20(22)26)18(12-14)27-13-19(25)23-15-5-7-16(8-6-15)24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13H2,(H2,22,26)(H,23,25)
InChIKeyPNGKUTUKJWUDCF-UHFFFAOYSA-N
XLogP3.45
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 822273
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2,4-dichlorobenzoate
CID 7857974
N-[4-(azepan-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide
CID 7582236
2-(2-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922500
2-(2,5-dichlorophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide
CID 2588764
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 1245566
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3,5-dichlorobenzoate
CID 7665105
2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 9078575
2-(2,5-dichlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
CID 108762057
2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922496
[2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 9203566
2-(4-chloro-2-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100516600

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-oxo-2-(4-piperidin-1-ylanilino)ethoxy]benzamide?
The IUPAC name of 4-chloro-2-[2-oxo-2-(4-piperidin-1-ylanilino)ethoxy]benzamide (CID 60601304) is 4-chloro-2-[2-oxo-2-(4-piperidin-1-ylanilino)ethoxy]benzamide.
What is the SMILES notation for 4-chloro-2-[2-oxo-2-(4-piperidin-1-ylanilino)ethoxy]benzamide?
The canonical SMILES for 4-chloro-2-[2-oxo-2-(4-piperidin-1-ylanilino)ethoxy]benzamide is NC(=O)c1ccc(Cl)cc1OCC(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 4-chloro-2-[2-oxo-2-(4-piperidin-1-ylanilino)ethoxy]benzamide?
The InChIKey is PNGKUTUKJWUDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c21-14-4-9-17(20(22)26)18(12-14)27-13-19(25)23-15-5-7-16(8-6-15)24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13H2,(H2,22,26)(H,23,25).
What are the key properties of 4-chloro-2-[2-oxo-2-(4-piperidin-1-ylanilino)ethoxy]benzamide?
4-chloro-2-[2-oxo-2-(4-piperidin-1-ylanilino)ethoxy]benzamide has a molecular weight of 387.87 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-oxo-2-(4-piperidin-1-ylanilino)ethoxy]benzamide is sourced from PubChem (CID 60601304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).