N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide

C21H25ClN4O2 — CID 17486565

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H25ClN4O2/c1-24(15-20(27)23-19-10-6-5-9-18(19)22)21(28)16-25-11-13-26(14-12-25)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,23,27)
InChIKeyZUBJKNMTWHSDNE-UHFFFAOYSA-N
MW400.91 g/mol
LogP2.56
Rot. Bonds6

About N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide

N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 17486565) has the molecular formula C21H25ClN4O2 and a molecular weight of 400.91 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID17486565
Molecular FormulaC21H25ClN4O2
Molecular Weight400.91 g/mol
Exact Mass400.17
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H25ClN4O2/c1-24(15-20(27)23-19-10-6-5-9-18(19)22)21(28)16-25-11-13-26(14-12-25)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,23,27)
InChIKeyZUBJKNMTWHSDNE-UHFFFAOYSA-N
XLogP2.56
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 25408858
N-[2-(2-chloroanilino)-2-oxoethyl]-2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methylacetamide
CID 55828625
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 17493433
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 38523304
ethyl 1-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 8931239
N-[2-(2-chloroanilino)-2-oxoethyl]-2-(2,6-dimethylmorpholin-4-yl)-N-methylacetamide
CID 51170480
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 39011334
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 27098428
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 25163401
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-piperidin-1-ylacetamide
CID 8894535
N-[2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide
CID 35708070
N-(2-chloro-4-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688693

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide (CID 17486565) is N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide is CN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is ZUBJKNMTWHSDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O2/c1-24(15-20(27)23-19-10-6-5-9-18(19)22)21(28)16-25-11-13-26(14-12-25)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,23,27).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 400.91 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 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-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 17486565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).