2,4-dichloro-N-[(1-propylpiperidin-4-ylidene)amino]benzamide

C15H19Cl2N3O — CID 839924

IUPAC2,4-dichloro-N-[(1-propylpiperidin-4-ylidene)amino]benzamide
SMILESCCCN1CCC(=NNC(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H19Cl2N3O/c1-2-7-20-8-5-12(6-9-20)18-19-15(21)13-4-3-11(16)10-14(13)17/h3-4,10H,2,5-9H2,1H3,(H,19,21)
InChIKeyVAVCJBLOELTFBO-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.59
Rot. Bonds4

About 2,4-dichloro-N-[(1-propylpiperidin-4-ylidene)amino]benzamide

2,4-dichloro-N-[(1-propylpiperidin-4-ylidene)amino]benzamide (PubChem CID 839924) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is 2,4-dichloro-N-[(1-propylpiperidin-4-ylidene)amino]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(1-propylpiperidin-4-ylidene)amino]benzamide
PubChem CID839924
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC Name2,4-dichloro-N-[(1-propylpiperidin-4-ylidene)amino]benzamide
SMILESCCCN1CCC(=NNC(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H19Cl2N3O/c1-2-7-20-8-5-12(6-9-20)18-19-15(21)13-4-3-11(16)10-14(13)17/h3-4,10H,2,5-9H2,1H3,(H,19,21)
InChIKeyVAVCJBLOELTFBO-UHFFFAOYSA-N
XLogP3.59
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(1-propylpiperidin-4-ylidene)amino]benzamide?
The IUPAC name of 2,4-dichloro-N-[(1-propylpiperidin-4-ylidene)amino]benzamide (CID 839924) is 2,4-dichloro-N-[(1-propylpiperidin-4-ylidene)amino]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(1-propylpiperidin-4-ylidene)amino]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(1-propylpiperidin-4-ylidene)amino]benzamide is CCCN1CCC(=NNC(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 2,4-dichloro-N-[(1-propylpiperidin-4-ylidene)amino]benzamide?
The InChIKey is VAVCJBLOELTFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O/c1-2-7-20-8-5-12(6-9-20)18-19-15(21)13-4-3-11(16)10-14(13)17/h3-4,10H,2,5-9H2,1H3,(H,19,21).
What are the key properties of 2,4-dichloro-N-[(1-propylpiperidin-4-ylidene)amino]benzamide?
2,4-dichloro-N-[(1-propylpiperidin-4-ylidene)amino]benzamide has a molecular weight of 328.24 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(1-propylpiperidin-4-ylidene)amino]benzamide is sourced from PubChem (CID 839924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).