(1Z)-4-methyl-N-(1,2,2-trichloroethenyl)benzenecarboximidoyl chloride

C10H7Cl4N — CID 11022385

IUPAC(1Z)-4-methyl-N-(1,2,2-trichloroethenyl)benzenecarboximidoyl chloride
SMILESCc1ccc(/C(Cl)=N/C(Cl)=C(Cl)Cl)cc1
InChIInChI=1S/C10H7Cl4N/c1-6-2-4-7(5-3-6)9(13)15-10(14)8(11)12/h2-5H,1H3/b15-9-
InChIKeyOOODVXGWLKSZFG-DHDCSXOGSA-N
MW282.99 g/mol
LogP4.82
Rot. Bonds2

About (1Z)-4-methyl-N-(1,2,2-trichloroethenyl)benzenecarboximidoyl chloride

(1Z)-4-methyl-N-(1,2,2-trichloroethenyl)benzenecarboximidoyl chloride (PubChem CID 11022385) has the molecular formula C10H7Cl4N and a molecular weight of 282.99 g/mol. Its IUPAC name is (1Z)-4-methyl-N-(1,2,2-trichloroethenyl)benzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1Z)-4-methyl-N-(1,2,2-trichloroethenyl)benzenecarboximidoyl chloride
PubChem CID11022385
Molecular FormulaC10H7Cl4N
Molecular Weight282.99 g/mol
Exact Mass280.93
IUPAC Name(1Z)-4-methyl-N-(1,2,2-trichloroethenyl)benzenecarboximidoyl chloride
SMILESCc1ccc(/C(Cl)=N/C(Cl)=C(Cl)Cl)cc1
InChIInChI=1S/C10H7Cl4N/c1-6-2-4-7(5-3-6)9(13)15-10(14)8(11)12/h2-5H,1H3/b15-9-
InChIKeyOOODVXGWLKSZFG-DHDCSXOGSA-N
XLogP4.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.99
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze (1Z)-4-methyl-N-(1,2,2-trichloroethenyl)benzenecarboximidoyl chloride 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

carbamimidoyl (1E)-4-methyl-N-(1,2,2-trichloroethenyl)benzenecarboximidothioate
CID 11836528
4-methylbenzoyl chloride
CID 13405
3,3-dichloro-2-(4-methylphenyl)prop-2-enoic acid;hydrochloride
CID 88719919
1,3-benzothiazol-2-yl 4-methyl-N-(1,2,2-trichloroethenyl)benzenecarboximidothioate
CID 3816702
[chloro-(4-methylphenyl)methylidene]-dimethylazanium
CID 16701530
(E)-N-(4-methylphenyl)benzenecarbohydrazonoyl chloride
CID 11207300
[(4-chlorophenyl)-(4-methylphenyl)methylidene]zirconium(2+)
CID 87101615
1-methyl-4-prop-1-en-2-ylbenzene
CID 90700010
1-(4-methylphenyl)prop-1-en-1-ol
CID 67275749
1-(4-methylphenyl)ethanone;hydrochloride
CID 172692328
ethane;4-methylbenzenecarboximidoyl chloride
CID 142027838
[2-hydrazinylidene-1,2-bis(4-methylphenyl)ethylidene]hydrazine
CID 175459980

Frequently Asked Questions

What is the IUPAC name of (1Z)-4-methyl-N-(1,2,2-trichloroethenyl)benzenecarboximidoyl chloride?
The IUPAC name of (1Z)-4-methyl-N-(1,2,2-trichloroethenyl)benzenecarboximidoyl chloride (CID 11022385) is (1Z)-4-methyl-N-(1,2,2-trichloroethenyl)benzenecarboximidoyl chloride.
What is the SMILES notation for (1Z)-4-methyl-N-(1,2,2-trichloroethenyl)benzenecarboximidoyl chloride?
The canonical SMILES for (1Z)-4-methyl-N-(1,2,2-trichloroethenyl)benzenecarboximidoyl chloride is Cc1ccc(/C(Cl)=N/C(Cl)=C(Cl)Cl)cc1.
What is the InChIKey of (1Z)-4-methyl-N-(1,2,2-trichloroethenyl)benzenecarboximidoyl chloride?
The InChIKey is OOODVXGWLKSZFG-DHDCSXOGSA-N. The full InChI is InChI=1S/C10H7Cl4N/c1-6-2-4-7(5-3-6)9(13)15-10(14)8(11)12/h2-5H,1H3/b15-9-.
What are the key properties of (1Z)-4-methyl-N-(1,2,2-trichloroethenyl)benzenecarboximidoyl chloride?
(1Z)-4-methyl-N-(1,2,2-trichloroethenyl)benzenecarboximidoyl chloride has a molecular weight of 282.99 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-4-methyl-N-(1,2,2-trichloroethenyl)benzenecarboximidoyl chloride is sourced from PubChem (CID 11022385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).