3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide

C24H28Cl4N4O2 — CID 3672547

IUPAC3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
SMILESO=C(NCCCN1CCN(CCCNC(=O)c2ccc(Cl)c(Cl)c2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H28Cl4N4O2/c25-19-5-3-17(15-21(19)27)23(33)29-7-1-9-31-11-13-32(14-12-31)10-2-8-30-24(34)18-4-6-20(26)22(28)16-18/h3-6,15-16H,1-2,7-14H2,(H,29,33)(H,30,34)
InChIKeyMBDLXBJBJHPIAA-UHFFFAOYSA-N
MW546.33 g/mol
LogP4.86
Rot. Bonds10

About 3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide

3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide (PubChem CID 3672547) has the molecular formula C24H28Cl4N4O2 and a molecular weight of 546.33 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
PubChem CID3672547
Molecular FormulaC24H28Cl4N4O2
Molecular Weight546.33 g/mol
Exact Mass544.10
IUPAC Name3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
SMILESO=C(NCCCN1CCN(CCCNC(=O)c2ccc(Cl)c(Cl)c2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H28Cl4N4O2/c25-19-5-3-17(15-21(19)27)23(33)29-7-1-9-31-11-13-32(14-12-31)10-2-8-30-24(34)18-4-6-20(26)22(28)16-18/h3-6,15-16H,1-2,7-14H2,(H,29,33)(H,30,34)
InChIKeyMBDLXBJBJHPIAA-UHFFFAOYSA-N
XLogP4.86
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.33
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 110444148
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CID 3328171
3,4-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzamide
CID 42273536
4-bromo-3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 80965947
3-bromo-4-chloro-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 103841452
3,4-dichloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 15050919
3,4-dichloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzamide
CID 110719239
3,4-dichloro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802534
4-bromo-3-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 81295151
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
2-[(3,4-dichlorobenzoyl)amino]-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 46113825
N-(4-acetamidobutyl)-3,4-dichlorobenzamide
CID 110358538

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide (CID 3672547) is 3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide is O=C(NCCCN1CCN(CCCNC(=O)c2ccc(Cl)c(Cl)c2)CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide?
The InChIKey is MBDLXBJBJHPIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl4N4O2/c25-19-5-3-17(15-21(19)27)23(33)29-7-1-9-31-11-13-32(14-12-31)10-2-8-30-24(34)18-4-6-20(26)22(28)16-18/h3-6,15-16H,1-2,7-14H2,(H,29,33)(H,30,34).
What are the key properties of 3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide?
3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide has a molecular weight of 546.33 g/mol, XLogP of 4.86, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide is sourced from PubChem (CID 3672547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).