4-acetamido-N-[(2-chlorophenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

C22H25ClN4O3 — CID 46332945

IUPAC4-acetamido-N-[(2-chlorophenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)N(CC(=O)N2CCNCC2)Cc2ccccc2Cl)cc1
InChIInChI=1S/C22H25ClN4O3/c1-16(28)25-19-8-6-17(7-9-19)22(30)27(14-18-4-2-3-5-20(18)23)15-21(29)26-12-10-24-11-13-26/h2-9,24H,10-15H2,1H3,(H,25,28)
InChIKeyMGQAKFGNZHMCKT-UHFFFAOYSA-N
MW428.92 g/mol
LogP2.37
Rot. Bonds6

About 4-acetamido-N-[(2-chlorophenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

4-acetamido-N-[(2-chlorophenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (PubChem CID 46332945) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is 4-acetamido-N-[(2-chlorophenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(2-chlorophenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
PubChem CID46332945
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC Name4-acetamido-N-[(2-chlorophenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)N(CC(=O)N2CCNCC2)Cc2ccccc2Cl)cc1
InChIInChI=1S/C22H25ClN4O3/c1-16(28)25-19-8-6-17(7-9-19)22(30)27(14-18-4-2-3-5-20(18)23)15-21(29)26-12-10-24-11-13-26/h2-9,24H,10-15H2,1H3,(H,25,28)
InChIKeyMGQAKFGNZHMCKT-UHFFFAOYSA-N
XLogP2.37
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 46333123
4-acetamido-N-[(2-methoxyphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid
CID 146057181
4-acetamido-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 92501974
4-chloro-N-[(2-methoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146074122
4-acetamido-N-cyclopropyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779539
3-acetamido-N-(2-oxo-2-piperazin-1-ylethyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 92501968
N-[(2-chlorophenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 20934324
N-[(4-chlorophenyl)methyl]-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 46333136
4-(2-chlorophenyl)-1-piperazin-1-ylbutan-1-one
CID 83924216
N-[(4-methoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146058528
N-(4-acetylphenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057922
4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N,N-diethylbenzamide
CID 54832867

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(2-chlorophenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 4-acetamido-N-[(2-chlorophenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (CID 46332945) is 4-acetamido-N-[(2-chlorophenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 4-acetamido-N-[(2-chlorophenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 4-acetamido-N-[(2-chlorophenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is CC(=O)Nc1ccc(C(=O)N(CC(=O)N2CCNCC2)Cc2ccccc2Cl)cc1.
What is the InChIKey of 4-acetamido-N-[(2-chlorophenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The InChIKey is MGQAKFGNZHMCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3/c1-16(28)25-19-8-6-17(7-9-19)22(30)27(14-18-4-2-3-5-20(18)23)15-21(29)26-12-10-24-11-13-26/h2-9,24H,10-15H2,1H3,(H,25,28).
What are the key properties of 4-acetamido-N-[(2-chlorophenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
4-acetamido-N-[(2-chlorophenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide has a molecular weight of 428.92 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(2-chlorophenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 46332945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).