N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide

C21H24ClN3O2 — CID 113171712

IUPACN-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1cccc(Cl)c1C
InChIInChI=1S/C21H24ClN3O2/c1-16-19(22)9-6-10-20(16)25(17(2)26)15-21(27)24-13-11-23(12-14-24)18-7-4-3-5-8-18/h3-10H,11-15H2,1-2H3
InChIKeyAKVBCOKJPIUTAR-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.35
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide

N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide (PubChem CID 113171712) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
PubChem CID113171712
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC NameN-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1cccc(Cl)c1C
InChIInChI=1S/C21H24ClN3O2/c1-16-19(22)9-6-10-20(16)25(17(2)26)15-21(27)24-13-11-23(12-14-24)18-7-4-3-5-8-18/h3-10H,11-15H2,1-2H3
InChIKeyAKVBCOKJPIUTAR-UHFFFAOYSA-N
XLogP3.35
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
CID 1137013
N-(2,6-dimethylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113168676
N-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113171118
N-(2-methylphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113167320
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-chlorophenyl)acetamide
CID 113171182
N-(2-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113173166
N-(3-fluorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113177614
N-(2,3-dimethylphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113168884
2-(3-chloro-2-methylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 17395805
N-(3-chloro-2-methylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
CID 108949428
N-(2,6-dichlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113179960
N-(5-chloro-2-methylphenyl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113127710

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide (CID 113171712) is N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide is CC(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1cccc(Cl)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
The InChIKey is AKVBCOKJPIUTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-16-19(22)9-6-10-20(16)25(17(2)26)15-21(27)24-13-11-23(12-14-24)18-7-4-3-5-8-18/h3-10H,11-15H2,1-2H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide has a molecular weight of 385.90 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 113171712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).