N-(2-chloro-4-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide

C19H22ClN3O — CID 8688693

IUPACN-(2-chloro-4-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CCN(c3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C19H22ClN3O/c1-15-7-8-18(17(20)13-15)21-19(24)14-22-9-11-23(12-10-22)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKeyFPWOONBQUOYVBY-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.41
Rot. Bonds4

About N-(2-chloro-4-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide

N-(2-chloro-4-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 8688693) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID8688693
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC NameN-(2-chloro-4-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CCN(c3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C19H22ClN3O/c1-15-7-8-18(17(20)13-15)21-19(24)14-22-9-11-23(12-10-22)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKeyFPWOONBQUOYVBY-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

N-(2-chloro-4-methylphenyl)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide
CID 86928272
N-(4-bromo-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 5007859
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 22198769
N-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34733225
N-(2,4-dichlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027205
N-(5-chloro-2-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731945
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 22198476
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 4238150
N-(2-fluoro-4-methylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8691168
2-[4-(2-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 32677650
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 8591691
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide
CID 27155798

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide (CID 8688693) is N-(2-chloro-4-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide is Cc1ccc(NC(=O)CN2CCN(c3ccccc3)CC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is FPWOONBQUOYVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-15-7-8-18(17(20)13-15)21-19(24)14-22-9-11-23(12-10-22)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,21,24).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide?
N-(2-chloro-4-methylphenyl)-2-(4-phenylpiperazin-1-yl)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 N-(2-chloro-4-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 8688693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).