4-amino-N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]benzamide

C15H13Cl2N3O — CID 7955460

IUPAC4-amino-N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccc(N)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2N3O/c1-9(13-7-4-11(16)8-14(13)17)19-20-15(21)10-2-5-12(18)6-3-10/h2-8H,18H2,1H3,(H,20,21)/b19-9-
InChIKeyBFLKAXDFQVHOJS-OCKHKDLRSA-N
MW322.19 g/mol
LogP3.73
Rot. Bonds3

About 4-amino-N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]benzamide

4-amino-N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]benzamide (PubChem CID 7955460) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.19 g/mol. Its IUPAC name is 4-amino-N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]benzamide
PubChem CID7955460
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.19 g/mol
Exact Mass321.04
IUPAC Name4-amino-N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccc(N)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2N3O/c1-9(13-7-4-11(16)8-14(13)17)19-20-15(21)10-2-5-12(18)6-3-10/h2-8H,18H2,1H3,(H,20,21)/b19-9-
InChIKeyBFLKAXDFQVHOJS-OCKHKDLRSA-N
XLogP3.73
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]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-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 6941499
2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide
CID 904479
4-amino-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide
CID 9070567
1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105
4-chloro-N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 3299264
N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide
CID 6027125
N-[1-(2,4-dichlorophenyl)ethylideneamino]-2,4-dihydroxybenzamide
CID 3626855
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide
CID 5416580
N-[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 137153590
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylfuran-3-carboxamide
CID 7289797
N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5402845

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]benzamide (CID 7955460) is 4-amino-N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]benzamide is C/C(=N/NC(=O)c1ccc(N)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-amino-N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]benzamide?
The InChIKey is BFLKAXDFQVHOJS-OCKHKDLRSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c1-9(13-7-4-11(16)8-14(13)17)19-20-15(21)10-2-5-12(18)6-3-10/h2-8H,18H2,1H3,(H,20,21)/b19-9-.
What are the key properties of 4-amino-N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]benzamide?
4-amino-N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]benzamide has a molecular weight of 322.19 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]benzamide is sourced from PubChem (CID 7955460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).