N-(2,5-dichlorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide

C19H21Cl2N3O2 — CID 2655404

IUPACN-(2,5-dichlorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(N2CCN(CC(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1
InChIInChI=1S/C19H21Cl2N3O2/c1-26-16-5-3-15(4-6-16)24-10-8-23(9-11-24)13-19(25)22-18-12-14(20)2-7-17(18)21/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyBUNVJTGUYVBOTE-UHFFFAOYSA-N
MW394.30 g/mol
LogP3.76
Rot. Bonds5

About N-(2,5-dichlorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide

N-(2,5-dichlorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide (PubChem CID 2655404) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
PubChem CID2655404
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC NameN-(2,5-dichlorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(N2CCN(CC(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1
InChIInChI=1S/C19H21Cl2N3O2/c1-26-16-5-3-15(4-6-16)24-10-8-23(9-11-24)13-19(25)22-18-12-14(20)2-7-17(18)21/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyBUNVJTGUYVBOTE-UHFFFAOYSA-N
XLogP3.76
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 7949022
N-(2,6-dichloro-3-methylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 2655408
N-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6465282
N-(3,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 1374681
N-(4-bromo-2-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 3287223
dimethyl 5-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 22198635
N-(2,5-dichlorophenyl)-2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
CID 1447590
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788
2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 1374696
N-(5-chloro-2-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8587427
N-(2,4-dichlorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2655419
N-(2,5-dichlorophenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33073942

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide (CID 2655404) is N-(2,5-dichlorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide is COc1ccc(N2CCN(CC(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is BUNVJTGUYVBOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-26-16-5-3-15(4-6-16)24-10-8-23(9-11-24)13-19(25)22-18-12-14(20)2-7-17(18)21/h2-7,12H,8-11,13H2,1H3,(H,22,25).
What are the key properties of N-(2,5-dichlorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
N-(2,5-dichlorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 394.30 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 2655404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).