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

C20H22Cl3N3O — CID 42273536

IUPAC3,4-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzamide
SMILESO=C(NCCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H22Cl3N3O/c21-16-3-5-17(6-4-16)26-12-10-25(11-13-26)9-1-8-24-20(27)15-2-7-18(22)19(23)14-15/h2-7,14H,1,8-13H2,(H,24,27)
InChIKeyGPYDXUCDJDIUNZ-UHFFFAOYSA-N
MW426.78 g/mol
LogP4.59
Rot. Bonds6

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

3,4-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzamide (PubChem CID 42273536) has the molecular formula C20H22Cl3N3O and a molecular weight of 426.78 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzamide
PubChem CID42273536
Molecular FormulaC20H22Cl3N3O
Molecular Weight426.78 g/mol
Exact Mass425.08
IUPAC Name3,4-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzamide
SMILESO=C(NCCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H22Cl3N3O/c21-16-3-5-17(6-4-16)26-12-10-25(11-13-26)9-1-8-24-20(27)15-2-7-18(22)19(23)14-15/h2-7,14H,1,8-13H2,(H,24,27)
InChIKeyGPYDXUCDJDIUNZ-UHFFFAOYSA-N
XLogP4.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.78
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 3672547
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3,4-difluorobenzamide
CID 42273607
3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 110444148
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266927
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3-methoxybenzamide
CID 10000302
3,4-dichloro-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]benzamide
CID 16889710
2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224466
2-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-fluorobenzamide
CID 42273465
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3,5-dimethylbenzamide
CID 42267000
N'-(4-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389768
5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide
CID 42273491

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzamide (CID 42273536) is 3,4-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzamide is O=C(NCCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzamide?
The InChIKey is GPYDXUCDJDIUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl3N3O/c21-16-3-5-17(6-4-16)26-12-10-25(11-13-26)9-1-8-24-20(27)15-2-7-18(22)19(23)14-15/h2-7,14H,1,8-13H2,(H,24,27).
What are the key properties of 3,4-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzamide?
3,4-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzamide has a molecular weight of 426.78 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzamide is sourced from PubChem (CID 42273536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).