4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide

C18H20ClN3O — CID 872196

IUPAC4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
SMILESCCN(CC)c1ccc(C=NNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClN3O/c1-3-22(4-2)17-11-5-14(6-12-17)13-20-21-18(23)15-7-9-16(19)10-8-15/h5-13H,3-4H2,1-2H3,(H,21,23)
InChIKeyWKRNRAHRWSZYDI-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.95
Rot. Bonds6

About 4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide

4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide (PubChem CID 872196) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
PubChem CID872196
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
SMILESCCN(CC)c1ccc(C=NNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClN3O/c1-3-22(4-2)17-11-5-14(6-12-17)13-20-21-18(23)15-7-9-16(19)10-8-15/h5-13H,3-4H2,1-2H3,(H,21,23)
InChIKeyWKRNRAHRWSZYDI-UHFFFAOYSA-N
XLogP3.95
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.95
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'}

Analyze 4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]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

N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 5410903
4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 164880526
4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 5373596
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 43879574
4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 5340804
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide
CID 5432105
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-methoxybenzamide
CID 5372104
4-(aminomethyl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide;hydrochloride
CID 119057126
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfinamoylbenzamide
CID 164880540
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide
CID 6900909
3-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methylideneamino]-1H-pyrazole-5-carboxamide
CID 1184953
N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide
CID 2691882

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide (CID 872196) is 4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide is CCN(CC)c1ccc(C=NNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide?
The InChIKey is WKRNRAHRWSZYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-3-22(4-2)17-11-5-14(6-12-17)13-20-21-18(23)15-7-9-16(19)10-8-15/h5-13H,3-4H2,1-2H3,(H,21,23).
What are the key properties of 4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide?
4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide has a molecular weight of 329.83 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 872196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).