2,4-dichloro-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide

C21H23Cl2N3O2 — CID 2395344

IUPAC2,4-dichloro-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCc1cccc(N2CCN(C(=O)CNC(=O)c3ccc(Cl)cc3Cl)CC2)c1C
InChIInChI=1S/C21H23Cl2N3O2/c1-14-4-3-5-19(15(14)2)25-8-10-26(11-9-25)20(27)13-24-21(28)17-7-6-16(22)12-18(17)23/h3-7,12H,8-11,13H2,1-2H3,(H,24,28)
InChIKeyOHQWDSQEGONTQZ-UHFFFAOYSA-N
MW420.34 g/mol
LogP3.69
Rot. Bonds4

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

2,4-dichloro-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide (PubChem CID 2395344) has the molecular formula C21H23Cl2N3O2 and a molecular weight of 420.34 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
PubChem CID2395344
Molecular FormulaC21H23Cl2N3O2
Molecular Weight420.34 g/mol
Exact Mass419.12
IUPAC Name2,4-dichloro-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCc1cccc(N2CCN(C(=O)CNC(=O)c3ccc(Cl)cc3Cl)CC2)c1C
InChIInChI=1S/C21H23Cl2N3O2/c1-14-4-3-5-19(15(14)2)25-8-10-26(11-9-25)20(27)13-24-21(28)17-7-6-16(22)12-18(17)23/h3-7,12H,8-11,13H2,1-2H3,(H,24,28)
InChIKeyOHQWDSQEGONTQZ-UHFFFAOYSA-N
XLogP3.69
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide
CID 17451155
2,4-dichloro-N-[2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 41337381
2-(2,5-dichlorophenyl)sulfanyl-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 2117372
2-(2,4-dichlorophenoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 1292697
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 17404196
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112994487
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 110687151
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 7494515
2,4-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide
CID 9342302
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,3-dione
CID 18073226
3-(3-chlorophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 127122166
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide
CID 38021617

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide (CID 2395344) is 2,4-dichloro-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide is Cc1cccc(N2CCN(C(=O)CNC(=O)c3ccc(Cl)cc3Cl)CC2)c1C.
What is the InChIKey of 2,4-dichloro-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is OHQWDSQEGONTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O2/c1-14-4-3-5-19(15(14)2)25-8-10-26(11-9-25)20(27)13-24-21(28)17-7-6-16(22)12-18(17)23/h3-7,12H,8-11,13H2,1-2H3,(H,24,28).
What are the key properties of 2,4-dichloro-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide?
2,4-dichloro-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 420.34 g/mol, XLogP of 3.69, 4 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-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 2395344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).