3,4-dichloro-N-(4-piperidin-1-ylphenyl)benzamide

C18H18Cl2N2O — CID 807268

IUPAC3,4-dichloro-N-(4-piperidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl2N2O/c19-16-9-4-13(12-17(16)20)18(23)21-14-5-7-15(8-6-14)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11H2,(H,21,23)
InChIKeyBVXWCMAKPJGDEF-UHFFFAOYSA-N
MW349.26 g/mol
LogP5.24
Rot. Bonds3

About 3,4-dichloro-N-(4-piperidin-1-ylphenyl)benzamide

3,4-dichloro-N-(4-piperidin-1-ylphenyl)benzamide (PubChem CID 807268) has the molecular formula C18H18Cl2N2O and a molecular weight of 349.26 g/mol. Its IUPAC name is 3,4-dichloro-N-(4-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(4-piperidin-1-ylphenyl)benzamide
PubChem CID807268
Molecular FormulaC18H18Cl2N2O
Molecular Weight349.26 g/mol
Exact Mass348.08
IUPAC Name3,4-dichloro-N-(4-piperidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl2N2O/c19-16-9-4-13(12-17(16)20)18(23)21-14-5-7-15(8-6-14)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11H2,(H,21,23)
InChIKeyBVXWCMAKPJGDEF-UHFFFAOYSA-N
XLogP5.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.26
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3,4-dichloro-N-(4-piperidin-1-ylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dichloro-N-[4-(4-formylpiperazin-1-yl)phenyl]benzamide
CID 112981690
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dichlorobenzamide
CID 1337040
2-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166232
5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226589
5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226590
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
N-[4-(azepan-1-yl)phenyl]-4-(3-chloro-2-pyridinyl)benzamide
CID 11153979
2-amino-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 110862205
N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide
CID 46489538
N-[4-(azepan-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7582189
4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 682745
3,4-dichloro-N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17127951

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(4-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 3,4-dichloro-N-(4-piperidin-1-ylphenyl)benzamide (CID 807268) is 3,4-dichloro-N-(4-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(4-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(4-piperidin-1-ylphenyl)benzamide is O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(4-piperidin-1-ylphenyl)benzamide?
The InChIKey is BVXWCMAKPJGDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O/c19-16-9-4-13(12-17(16)20)18(23)21-14-5-7-15(8-6-14)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11H2,(H,21,23).
What are the key properties of 3,4-dichloro-N-(4-piperidin-1-ylphenyl)benzamide?
3,4-dichloro-N-(4-piperidin-1-ylphenyl)benzamide has a molecular weight of 349.26 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(4-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 807268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).