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

C20H23Cl2N3O — CID 30885246

IUPAC2,4-dichloro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
SMILESCc1cccc(N2CCN(CCNC(=O)c3ccc(Cl)cc3Cl)CC2)c1
InChIInChI=1S/C20H23Cl2N3O/c1-15-3-2-4-17(13-15)25-11-9-24(10-12-25)8-7-23-20(26)18-6-5-16(21)14-19(18)22/h2-6,13-14H,7-12H2,1H3,(H,23,26)
InChIKeyPBZJIHHJEFLHTH-UHFFFAOYSA-N
MW392.33 g/mol
LogP3.85
Rot. Bonds5

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

2,4-dichloro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide (PubChem CID 30885246) has the molecular formula C20H23Cl2N3O and a molecular weight of 392.33 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
PubChem CID30885246
Molecular FormulaC20H23Cl2N3O
Molecular Weight392.33 g/mol
Exact Mass391.12
IUPAC Name2,4-dichloro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
SMILESCc1cccc(N2CCN(CCNC(=O)c3ccc(Cl)cc3Cl)CC2)c1
InChIInChI=1S/C20H23Cl2N3O/c1-15-3-2-4-17(13-15)25-11-9-24(10-12-25)8-7-23-20(26)18-6-5-16(21)14-19(18)22/h2-6,13-14H,7-12H2,1H3,(H,23,26)
InChIKeyPBZJIHHJEFLHTH-UHFFFAOYSA-N
XLogP3.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 38441075
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244
4-chloro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 34249962
2,5-dimethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]furan-3-carboxamide
CID 30900411
2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 86981700
2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 39306024
2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 42266962
2-(4-chlorophenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide
CID 38440949
5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38756062
2-methyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-3-nitrobenzamide
CID 43067029
4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885248
2,4-dichloro-N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 44896857

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide (CID 30885246) is 2,4-dichloro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide is Cc1cccc(N2CCN(CCNC(=O)c3ccc(Cl)cc3Cl)CC2)c1.
What is the InChIKey of 2,4-dichloro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is PBZJIHHJEFLHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O/c1-15-3-2-4-17(13-15)25-11-9-24(10-12-25)8-7-23-20(26)18-6-5-16(21)14-19(18)22/h2-6,13-14H,7-12H2,1H3,(H,23,26).
What are the key properties of 2,4-dichloro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide?
2,4-dichloro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide has a molecular weight of 392.33 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 30885246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).