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

C20H23Cl2N3O2 — CID 9259761

IUPACN-(2,5-dichlorophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CCOc2ccccc2)CC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C20H23Cl2N3O2/c21-16-6-7-18(22)19(14-16)23-20(26)15-25-10-8-24(9-11-25)12-13-27-17-4-2-1-3-5-17/h1-7,14H,8-13,15H2,(H,23,26)
InChIKeyHKDAAQBBYZATER-UHFFFAOYSA-N
MW408.33 g/mol
LogP3.63
Rot. Bonds7

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

N-(2,5-dichlorophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide (PubChem CID 9259761) has the molecular formula C20H23Cl2N3O2 and a molecular weight of 408.33 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
PubChem CID9259761
Molecular FormulaC20H23Cl2N3O2
Molecular Weight408.33 g/mol
Exact Mass407.12
IUPAC NameN-(2,5-dichlorophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CCOc2ccccc2)CC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C20H23Cl2N3O2/c21-16-6-7-18(22)19(14-16)23-20(26)15-25-10-8-24(9-11-25)12-13-27-17-4-2-1-3-5-17/h1-7,14H,8-13,15H2,(H,23,26)
InChIKeyHKDAAQBBYZATER-UHFFFAOYSA-N
XLogP3.63
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetamide
CID 9260111
N-(2,6-dichloro-3-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 9259807
N-benzyl-2-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29487883
N-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6465282
N-(2,5-dichlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 2120382
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 9259876
N-benzyl-2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetamide
CID 9260179
ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 142596800
N-(2,5-dichlorophenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9257466
N-(2-chlorophenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide
CID 34708396
1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 17486082
N-(2,5-dichlorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 2655404

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide (CID 9259761) is N-(2,5-dichlorophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide is O=C(CN1CCN(CCOc2ccccc2)CC1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
The InChIKey is HKDAAQBBYZATER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O2/c21-16-6-7-18(22)19(14-16)23-20(26)15-25-10-8-24(9-11-25)12-13-27-17-4-2-1-3-5-17/h1-7,14H,8-13,15H2,(H,23,26).
What are the key properties of N-(2,5-dichlorophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
N-(2,5-dichlorophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide has a molecular weight of 408.33 g/mol, XLogP of 3.63, 7 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-(2-phenoxyethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 9259761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).