2-chloro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide

C15H10Cl4N2O — CID 3997107

IUPAC2-chloro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccccc1Cl)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C15H10Cl4N2O/c1-8(9-6-7-12(17)14(19)13(9)18)20-21-15(22)10-4-2-3-5-11(10)16/h2-7H,1H3,(H,21,22)
InChIKeyYUBPXELDVBIVQW-UHFFFAOYSA-N
MW376.07 g/mol
LogP5.45
Rot. Bonds3

About 2-chloro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide

2-chloro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide (PubChem CID 3997107) has the molecular formula C15H10Cl4N2O and a molecular weight of 376.07 g/mol. Its IUPAC name is 2-chloro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide
PubChem CID3997107
Molecular FormulaC15H10Cl4N2O
Molecular Weight376.07 g/mol
Exact Mass373.95
IUPAC Name2-chloro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccccc1Cl)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C15H10Cl4N2O/c1-8(9-6-7-12(17)14(19)13(9)18)20-21-15(22)10-4-2-3-5-11(10)16/h2-7H,1H3,(H,21,22)
InChIKeyYUBPXELDVBIVQW-UHFFFAOYSA-N
XLogP5.45
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.07
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-N-[1-(2,3,4-trichlorophenyl)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

2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
2,5-dimethyl-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]furan-3-carboxamide
CID 4638299
2-amino-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide
CID 5332716
N-[1-(4-acetamidophenyl)ethylideneamino]-2-chlorobenzamide
CID 1225540
2-chloro-N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]benzamide
CID 6156048
4-nitro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide
CID 5217077
2-chloro-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 5333978
2-chloro-N-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 137028983
2-chloro-N-(3,3-dimethylbutan-2-ylideneamino)benzamide
CID 691089
N-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide
CID 4123308
2-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide
CID 5417719
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide (CID 3997107) is 2-chloro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide is CC(=NNC(=O)c1ccccc1Cl)c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of 2-chloro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide?
The InChIKey is YUBPXELDVBIVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl4N2O/c1-8(9-6-7-12(17)14(19)13(9)18)20-21-15(22)10-4-2-3-5-11(10)16/h2-7H,1H3,(H,21,22).
What are the key properties of 2-chloro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide?
2-chloro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide has a molecular weight of 376.07 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide is sourced from PubChem (CID 3997107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).