5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide

C21H25Cl2N3O2 — CID 42273491

IUPAC5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25Cl2N3O2/c1-28-20-8-5-17(23)15-19(20)21(27)24-9-2-10-25-11-13-26(14-12-25)18-6-3-16(22)4-7-18/h3-8,15H,2,9-14H2,1H3,(H,24,27)
InChIKeyXFHCKWWBYJCCHQ-UHFFFAOYSA-N
MW422.36 g/mol
LogP3.94
Rot. Bonds7

About 5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide

5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide (PubChem CID 42273491) has the molecular formula C21H25Cl2N3O2 and a molecular weight of 422.36 g/mol. Its IUPAC name is 5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide
PubChem CID42273491
Molecular FormulaC21H25Cl2N3O2
Molecular Weight422.36 g/mol
Exact Mass421.13
IUPAC Name5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25Cl2N3O2/c1-28-20-8-5-17(23)15-19(20)21(27)24-9-2-10-25-11-13-26(14-12-25)18-6-3-16(22)4-7-18/h3-8,15H,2,9-14H2,1H3,(H,24,27)
InChIKeyXFHCKWWBYJCCHQ-UHFFFAOYSA-N
XLogP3.94
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224442
5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94885064
5-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide
CID 42224226
5-chloro-2-methoxy-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]benzamide
CID 42175671
2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 42273217
2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224466
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3-methoxybenzamide
CID 10000302
1-(5-chloro-2-methoxyphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]urea
CID 22430341
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,5-dimethylbenzamide
CID 42224706
5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzamide
CID 16890087
5-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-methoxybenzamide
CID 22578842
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 3236581

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide (CID 42273491) is 5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCCCN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide?
The InChIKey is XFHCKWWBYJCCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O2/c1-28-20-8-5-17(23)15-19(20)21(27)24-9-2-10-25-11-13-26(14-12-25)18-6-3-16(22)4-7-18/h3-8,15H,2,9-14H2,1H3,(H,24,27).
What are the key properties of 5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide?
5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide has a molecular weight of 422.36 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide is sourced from PubChem (CID 42273491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).