4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide

C23H27Cl2N3O — CID 146242192

IUPAC4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
SMILESCN1CCN(CCCNC(=O)c2ccc(/C=C/c3ccc(Cl)cc3Cl)cc2)CC1
InChIInChI=1S/C23H27Cl2N3O/c1-27-13-15-28(16-14-27)12-2-11-26-23(29)20-7-4-18(5-8-20)3-6-19-9-10-21(24)17-22(19)25/h3-10,17H,2,11-16H2,1H3,(H,26,29)/b6-3+
InChIKeyUWYZYGFVEGGBIO-ZZXKWVIFSA-N
MW432.40 g/mol
LogP4.53
Rot. Bonds7

About 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide

4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide (PubChem CID 146242192) has the molecular formula C23H27Cl2N3O and a molecular weight of 432.40 g/mol. Its IUPAC name is 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
PubChem CID146242192
Molecular FormulaC23H27Cl2N3O
Molecular Weight432.40 g/mol
Exact Mass431.15
IUPAC Name4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
SMILESCN1CCN(CCCNC(=O)c2ccc(/C=C/c3ccc(Cl)cc3Cl)cc2)CC1
InChIInChI=1S/C23H27Cl2N3O/c1-27-13-15-28(16-14-27)12-2-11-26-23(29)20-7-4-18(5-8-20)3-6-19-9-10-21(24)17-22(19)25/h3-10,17H,2,11-16H2,1H3,(H,26,29)/b6-3+
InChIKeyUWYZYGFVEGGBIO-ZZXKWVIFSA-N
XLogP4.53
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 80965947
N-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide
CID 59186291
3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 3672547
4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 10225174
3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 18999787
N-[2-(2,4-dichlorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 112838213
6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 60668368
(E)-3-(4-chlorophenyl)-N-[3-[4-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide
CID 6034169
3-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442007
2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 47029242
3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 110444148
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119390904

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide (CID 146242192) is 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide is CN1CCN(CCCNC(=O)c2ccc(/C=C/c3ccc(Cl)cc3Cl)cc2)CC1.
What is the InChIKey of 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide?
The InChIKey is UWYZYGFVEGGBIO-ZZXKWVIFSA-N. The full InChI is InChI=1S/C23H27Cl2N3O/c1-27-13-15-28(16-14-27)12-2-11-26-23(29)20-7-4-18(5-8-20)3-6-19-9-10-21(24)17-22(19)25/h3-10,17H,2,11-16H2,1H3,(H,26,29)/b6-3+.
What are the key properties of 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide?
4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide has a molecular weight of 432.40 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 146242192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).