N-[2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide

C22H25ClN4O3 — CID 35708070

IUPACN-[2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)C(=O)c1ccccc1
InChIInChI=1S/C22H25ClN4O3/c1-25(22(30)17-7-3-2-4-8-17)16-21(29)27-13-11-26(12-14-27)15-20(28)24-19-10-6-5-9-18(19)23/h2-10H,11-16H2,1H3,(H,24,28)
InChIKeyFWOOGOMIJSMYKA-UHFFFAOYSA-N
MW428.92 g/mol
LogP2.19
Rot. Bonds6

About N-[2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide

N-[2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide (PubChem CID 35708070) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is N-[2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide
PubChem CID35708070
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC NameN-[2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)C(=O)c1ccccc1
InChIInChI=1S/C22H25ClN4O3/c1-25(22(30)17-7-3-2-4-8-17)16-21(29)27-13-11-26(12-14-27)15-20(28)24-19-10-6-5-9-18(19)23/h2-10H,11-16H2,1H3,(H,24,28)
InChIKeyFWOOGOMIJSMYKA-UHFFFAOYSA-N
XLogP2.19
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 25490702
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CID 55567018
2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833675
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N-(2-chlorophenyl)-2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]acetamide
CID 8749055
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17447421
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 17486565
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-(2-chlorophenyl)-2-[4-(3-methylfuran-2-carbonyl)piperazin-1-yl]acetamide
CID 31333538

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of N-[2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide (CID 35708070) is N-[2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for N-[2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide is CN(CC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)C(=O)c1ccccc1.
What is the InChIKey of N-[2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide?
The InChIKey is FWOOGOMIJSMYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3/c1-25(22(30)17-7-3-2-4-8-17)16-21(29)27-13-11-26(12-14-27)15-20(28)24-19-10-6-5-9-18(19)23/h2-10H,11-16H2,1H3,(H,24,28).
What are the key properties of N-[2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide?
N-[2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide has a molecular weight of 428.92 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 35708070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).