3,5-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide

C20H23Cl2N3O2 — CID 10024401

IUPAC3,5-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C20H23Cl2N3O2/c1-27-19-5-3-2-4-18(19)25-10-8-24(9-11-25)7-6-23-20(26)15-12-16(21)14-17(22)13-15/h2-5,12-14H,6-11H2,1H3,(H,23,26)
InChIKeyZVQBSOHDKNIENT-UHFFFAOYSA-N
MW408.33 g/mol
LogP3.55
Rot. Bonds6

About 3,5-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide

3,5-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide (PubChem CID 10024401) has the molecular formula C20H23Cl2N3O2 and a molecular weight of 408.33 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
PubChem CID10024401
Molecular FormulaC20H23Cl2N3O2
Molecular Weight408.33 g/mol
Exact Mass407.12
IUPAC Name3,5-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C20H23Cl2N3O2/c1-27-19-5-3-2-4-18(19)25-10-8-24(9-11-25)7-6-23-20(26)15-12-16(21)14-17(22)13-15/h2-5,12-14H,6-11H2,1H3,(H,23,26)
InChIKeyZVQBSOHDKNIENT-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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Related Compounds

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-3-carboxamide
CID 11725128
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide
CID 42266869
3,4-dichloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 15050919
5-bromo-2-chloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266764
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-piperidin-1-ylethyl)benzamide
CID 46054193
2-chloro-6-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266795
N'-(2-methoxyethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268802
N'-[(4-chlorophenyl)methyl]-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268780
2,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266860
2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 42273217
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 10617524
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 13318490

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide (CID 10024401) is 3,5-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide is COc1ccccc1N1CCN(CCNC(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 3,5-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is ZVQBSOHDKNIENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O2/c1-27-19-5-3-2-4-18(19)25-10-8-24(9-11-25)7-6-23-20(26)15-12-16(21)14-17(22)13-15/h2-5,12-14H,6-11H2,1H3,(H,23,26).
What are the key properties of 3,5-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide?
3,5-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide 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 3,5-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 10024401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).