N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide

C20H23Cl2N3O2 — CID 11729231

IUPACN-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1
InChIInChI=1S/C20H23Cl2N3O2/c1-27-16-5-2-4-15(14-16)20(26)23-8-9-24-10-12-25(13-11-24)18-7-3-6-17(21)19(18)22/h2-7,14H,8-13H2,1H3,(H,23,26)
InChIKeySODILGGAOBCWFX-UHFFFAOYSA-N
MW408.33 g/mol
LogP3.55
Rot. Bonds6

About N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide

N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide (PubChem CID 11729231) has the molecular formula C20H23Cl2N3O2 and a molecular weight of 408.33 g/mol. Its IUPAC name is N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide
PubChem CID11729231
Molecular FormulaC20H23Cl2N3O2
Molecular Weight408.33 g/mol
Exact Mass407.12
IUPAC NameN-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1
InChIInChI=1S/C20H23Cl2N3O2/c1-27-16-5-2-4-15(14-16)20(26)23-8-9-24-10-12-25(13-11-24)18-7-3-6-17(21)19(18)22/h2-7,14H,8-13H2,1H3,(H,23,26)
InChIKeySODILGGAOBCWFX-UHFFFAOYSA-N
XLogP3.55
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide (CID 11729231) is N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1.
What is the InChIKey of N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide?
The InChIKey is SODILGGAOBCWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O2/c1-27-16-5-2-4-15(14-16)20(26)23-8-9-24-10-12-25(13-11-24)18-7-3-6-17(21)19(18)22/h2-7,14H,8-13H2,1H3,(H,23,26).
What are the key properties of N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide?
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide has a molecular weight of 408.33 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide is sourced from PubChem (CID 11729231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).