N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2-piperidin-1-ylanilino)acetamide

C22H27ClN4O2 — CID 26539561

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2-piperidin-1-ylanilino)acetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)CNc1ccccc1N1CCCCC1
InChIInChI=1S/C22H27ClN4O2/c1-26(16-21(28)25-18-10-4-3-9-17(18)23)22(29)15-24-19-11-5-6-12-20(19)27-13-7-2-8-14-27/h3-6,9-12,24H,2,7-8,13-16H2,1H3,(H,25,28)
InChIKeyPTEPGOWIJRGPFE-UHFFFAOYSA-N
MW414.94 g/mol
LogP3.84
Rot. Bonds7

About N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2-piperidin-1-ylanilino)acetamide

N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2-piperidin-1-ylanilino)acetamide (PubChem CID 26539561) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2-piperidin-1-ylanilino)acetamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2-piperidin-1-ylanilino)acetamide
PubChem CID26539561
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2-piperidin-1-ylanilino)acetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)CNc1ccccc1N1CCCCC1
InChIInChI=1S/C22H27ClN4O2/c1-26(16-21(28)25-18-10-4-3-9-17(18)23)22(29)15-24-19-11-5-6-12-20(19)27-13-7-2-8-14-27/h3-6,9-12,24H,2,7-8,13-16H2,1H3,(H,25,28)
InChIKeyPTEPGOWIJRGPFE-UHFFFAOYSA-N
XLogP3.84
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37471792
2-anilino-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37229214
N-[2-(2-chloroanilino)-2-oxoethyl]-2-(2,3-dimethylanilino)-N-methylacetamide
CID 26505954
N-(2-chlorophenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109008426
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 7606885
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 17486565
N-(3-chloro-4-fluorophenyl)-2-(2-piperidin-1-ylanilino)acetamide
CID 9100097
N-[2-(2-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 31971689
N-[2-(2-chloroanilino)-2-oxoethyl]-2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-methylacetamide
CID 26508658
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 9409837
N-[2-(2-chloroanilino)-2-oxoethyl]-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylacetamide
CID 9306428
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2-piperidin-1-ylanilino)acetamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2-piperidin-1-ylanilino)acetamide (CID 26539561) is N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2-piperidin-1-ylanilino)acetamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2-piperidin-1-ylanilino)acetamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2-piperidin-1-ylanilino)acetamide is CN(CC(=O)Nc1ccccc1Cl)C(=O)CNc1ccccc1N1CCCCC1.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2-piperidin-1-ylanilino)acetamide?
The InChIKey is PTEPGOWIJRGPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O2/c1-26(16-21(28)25-18-10-4-3-9-17(18)23)22(29)15-24-19-11-5-6-12-20(19)27-13-7-2-8-14-27/h3-6,9-12,24H,2,7-8,13-16H2,1H3,(H,25,28).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2-piperidin-1-ylanilino)acetamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2-piperidin-1-ylanilino)acetamide has a molecular weight of 414.94 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2-piperidin-1-ylanilino)acetamide is sourced from PubChem (CID 26539561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).