N-(2-chlorophenyl)-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide

C23H29ClN4O2 — CID 8843504

IUPACN-(2-chlorophenyl)-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide
SMILESCc1ccccc1CN1CCN(C(=O)CN(C)CC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C23H29ClN4O2/c1-18-7-3-4-8-19(18)15-27-11-13-28(14-12-27)23(30)17-26(2)16-22(29)25-21-10-6-5-9-20(21)24/h3-10H,11-17H2,1-2H3,(H,25,29)
InChIKeySCHZQPYOZIGKJH-UHFFFAOYSA-N
MW428.96 g/mol
LogP2.86
Rot. Bonds7

About N-(2-chlorophenyl)-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide

N-(2-chlorophenyl)-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide (PubChem CID 8843504) has the molecular formula C23H29ClN4O2 and a molecular weight of 428.96 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide
PubChem CID8843504
Molecular FormulaC23H29ClN4O2
Molecular Weight428.96 g/mol
Exact Mass428.20
IUPAC NameN-(2-chlorophenyl)-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide
SMILESCc1ccccc1CN1CCN(C(=O)CN(C)CC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C23H29ClN4O2/c1-18-7-3-4-8-19(18)15-27-11-13-28(14-12-27)23(30)17-26(2)16-22(29)25-21-10-6-5-9-20(21)24/h3-10H,11-17H2,1-2H3,(H,25,29)
InChIKeySCHZQPYOZIGKJH-UHFFFAOYSA-N
XLogP2.86
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]piperazine-1-carboxylate
CID 9038050
N-tert-butyl-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide
CID 8768478
2-[methyl-[(2-methylphenyl)methyl]amino]-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 55410001
N-(2,6-dichlorophenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide
CID 25487251
N-(2,6-dimethylphenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide
CID 8793749
2-[2-hydroxyethyl(methyl)amino]-1-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 110899232
3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)-3-oxopropanamide
CID 108949335
4-(4-acetylpiperazin-1-yl)-N-(2-chlorophenyl)-4-oxobutanamide
CID 9032040
N-(2,5-dichlorophenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9257466
N-(2-chlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
CID 11971646
N-[2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide
CID 35708070
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide (CID 8843504) is N-(2-chlorophenyl)-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide is Cc1ccccc1CN1CCN(C(=O)CN(C)CC(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of N-(2-chlorophenyl)-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide?
The InChIKey is SCHZQPYOZIGKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O2/c1-18-7-3-4-8-19(18)15-27-11-13-28(14-12-27)23(30)17-26(2)16-22(29)25-21-10-6-5-9-20(21)24/h3-10H,11-17H2,1-2H3,(H,25,29).
What are the key properties of N-(2-chlorophenyl)-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide?
N-(2-chlorophenyl)-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide has a molecular weight of 428.96 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 8843504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).