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

C19H22ClN3O — CID 22198476

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H22ClN3O/c1-15-4-2-3-5-18(15)21-19(24)14-22-10-12-23(13-11-22)17-8-6-16(20)7-9-17/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyFSPLQBZMQYPGJH-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.41
Rot. Bonds4

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

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 22198476) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID22198476
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H22ClN3O/c1-15-4-2-3-5-18(15)21-19(24)14-22-10-12-23(13-11-22)17-8-6-16(20)7-9-17/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyFSPLQBZMQYPGJH-UHFFFAOYSA-N
XLogP3.41
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 5019099
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 8591260
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 8743992
N-(4-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8704214
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 6466210
N-(5-chloro-2-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731945
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
N-(4-chloro-2-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
CID 78897256
2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 9435125
N-(4-chloro-2-methylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8005862

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide (CID 22198476) is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is FSPLQBZMQYPGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-15-4-2-3-5-18(15)21-19(24)14-22-10-12-23(13-11-22)17-8-6-16(20)7-9-17/h2-9H,10-14H2,1H3,(H,21,24).
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide?
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 343.86 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 22198476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).