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

C14H15Cl3N2O2 — CID 108561589

IUPAC2,5-dichloro-N-[1-(2-chloroacetyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)CCl)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H15Cl3N2O2/c15-8-13(20)19-5-3-10(4-6-19)18-14(21)11-7-9(16)1-2-12(11)17/h1-2,7,10H,3-6,8H2,(H,18,21)
InChIKeyQVBNFUFSCYEQEJ-UHFFFAOYSA-N
MW349.65 g/mol
LogP2.95
Rot. Bonds3

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

2,5-dichloro-N-[1-(2-chloroacetyl)piperidin-4-yl]benzamide (PubChem CID 108561589) has the molecular formula C14H15Cl3N2O2 and a molecular weight of 349.65 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(2-chloroacetyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(2-chloroacetyl)piperidin-4-yl]benzamide
PubChem CID108561589
Molecular FormulaC14H15Cl3N2O2
Molecular Weight349.65 g/mol
Exact Mass348.02
IUPAC Name2,5-dichloro-N-[1-(2-chloroacetyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)CCl)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H15Cl3N2O2/c15-8-13(20)19-5-3-10(4-6-19)18-14(21)11-7-9(16)1-2-12(11)17/h1-2,7,10H,3-6,8H2,(H,18,21)
InChIKeyQVBNFUFSCYEQEJ-UHFFFAOYSA-N
XLogP2.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.65
LogP ≤ 52.95
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-(3-chloropropanoyl)piperidin-4-yl]benzamide
CID 108561573
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-(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-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108554611
2,5-dichloro-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108554571
2,5-dichloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108554637
butyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
CID 108561579
2,5-dichloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108554594
2,5-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 108561587

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(2-chloroacetyl)piperidin-4-yl]benzamide?
The IUPAC name of 2,5-dichloro-N-[1-(2-chloroacetyl)piperidin-4-yl]benzamide (CID 108561589) is 2,5-dichloro-N-[1-(2-chloroacetyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[1-(2-chloroacetyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[1-(2-chloroacetyl)piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)CCl)CC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[1-(2-chloroacetyl)piperidin-4-yl]benzamide?
The InChIKey is QVBNFUFSCYEQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl3N2O2/c15-8-13(20)19-5-3-10(4-6-19)18-14(21)11-7-9(16)1-2-12(11)17/h1-2,7,10H,3-6,8H2,(H,18,21).
What are the key properties of 2,5-dichloro-N-[1-(2-chloroacetyl)piperidin-4-yl]benzamide?
2,5-dichloro-N-[1-(2-chloroacetyl)piperidin-4-yl]benzamide has a molecular weight of 349.65 g/mol, XLogP of 2.95, 3 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-(2-chloroacetyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108561589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).