2,5-dichloro-N-[1-(3-chloropropanoyl)piperidin-4-yl]benzamide

C15H17Cl3N2O2 — CID 108561573

IUPAC2,5-dichloro-N-[1-(3-chloropropanoyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)CCCl)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H17Cl3N2O2/c16-6-3-14(21)20-7-4-11(5-8-20)19-15(22)12-9-10(17)1-2-13(12)18/h1-2,9,11H,3-8H2,(H,19,22)
InChIKeyFJCOQTZFBLDWAU-UHFFFAOYSA-N
MW363.67 g/mol
LogP3.34
Rot. Bonds4

About 2,5-dichloro-N-[1-(3-chloropropanoyl)piperidin-4-yl]benzamide

2,5-dichloro-N-[1-(3-chloropropanoyl)piperidin-4-yl]benzamide (PubChem CID 108561573) has the molecular formula C15H17Cl3N2O2 and a molecular weight of 363.67 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(3-chloropropanoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(3-chloropropanoyl)piperidin-4-yl]benzamide
PubChem CID108561573
Molecular FormulaC15H17Cl3N2O2
Molecular Weight363.67 g/mol
Exact Mass362.04
IUPAC Name2,5-dichloro-N-[1-(3-chloropropanoyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)CCCl)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H17Cl3N2O2/c16-6-3-14(21)20-7-4-11(5-8-20)19-15(22)12-9-10(17)1-2-13(12)18/h1-2,9,11H,3-8H2,(H,19,22)
InChIKeyFJCOQTZFBLDWAU-UHFFFAOYSA-N
XLogP3.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.67
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-[1-(2-chloroacetyl)piperidin-4-yl]benzamide
CID 108561589
2,5-dichloro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108554611
methyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
CID 108561576
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
2,5-dichloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108554581
2,5-dichloro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108554600
2,5-dichloro-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 108554619
2,5-dichloro-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]benzamide
CID 108554575
2,5-dichloro-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108554571
2,4-dichloro-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide
CID 108566500
2,5-dichloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108554637
2,4-dichloro-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzamide
CID 108567011

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(3-chloropropanoyl)piperidin-4-yl]benzamide?
The IUPAC name of 2,5-dichloro-N-[1-(3-chloropropanoyl)piperidin-4-yl]benzamide (CID 108561573) is 2,5-dichloro-N-[1-(3-chloropropanoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[1-(3-chloropropanoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[1-(3-chloropropanoyl)piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)CCCl)CC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[1-(3-chloropropanoyl)piperidin-4-yl]benzamide?
The InChIKey is FJCOQTZFBLDWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl3N2O2/c16-6-3-14(21)20-7-4-11(5-8-20)19-15(22)12-9-10(17)1-2-13(12)18/h1-2,9,11H,3-8H2,(H,19,22).
What are the key properties of 2,5-dichloro-N-[1-(3-chloropropanoyl)piperidin-4-yl]benzamide?
2,5-dichloro-N-[1-(3-chloropropanoyl)piperidin-4-yl]benzamide has a molecular weight of 363.67 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-(3-chloropropanoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108561573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).