2-chloro-N'-(3-chloro-2-methylphenyl)ethanimidamide

C9H10Cl2N2 — CID 169369825

IUPAC2-chloro-N'-(3-chloro-2-methylphenyl)ethanimidamide
SMILESCc1c(Cl)cccc1/N=C(/N)CCl
InChIInChI=1S/C9H10Cl2N2/c1-6-7(11)3-2-4-8(6)13-9(12)5-10/h2-4H,5H2,1H3,(H2,12,13)
InChIKeyNTHXUCHHMCOIGA-UHFFFAOYSA-N
MW217.10 g/mol
LogP2.88
Rot. Bonds2

About 2-chloro-N'-(3-chloro-2-methylphenyl)ethanimidamide

2-chloro-N'-(3-chloro-2-methylphenyl)ethanimidamide (PubChem CID 169369825) has the molecular formula C9H10Cl2N2 and a molecular weight of 217.10 g/mol. Its IUPAC name is 2-chloro-N'-(3-chloro-2-methylphenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(3-chloro-2-methylphenyl)ethanimidamide
PubChem CID169369825
Molecular FormulaC9H10Cl2N2
Molecular Weight217.10 g/mol
Exact Mass216.02
IUPAC Name2-chloro-N'-(3-chloro-2-methylphenyl)ethanimidamide
SMILESCc1c(Cl)cccc1/N=C(/N)CCl
InChIInChI=1S/C9H10Cl2N2/c1-6-7(11)3-2-4-8(6)13-9(12)5-10/h2-4H,5H2,1H3,(H2,12,13)
InChIKeyNTHXUCHHMCOIGA-UHFFFAOYSA-N
XLogP2.88
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.10
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-chloro-N'-(3-chloro-2-methylphenyl)ethanimidamide 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-(3-chloro-2-methylphenyl)guanidine
CID 45496576
2-chloro-N'-(3-chloro-2-propoxyphenyl)ethanimidamide
CID 169366352
3-[(1-amino-2-chloroethylidene)amino]-N,2-dimethylbenzamide
CID 169366346
2-chloro-N'-(3-fluoro-2,4-dimethylphenyl)ethanimidamide
CID 169368780
1-N'-(3-chloro-2-methylphenyl)-3-N'-methyl-2-methyliminopropanediimidamide
CID 143329492
2-chloro-N'-[2-(2-methylphenyl)phenyl]ethanimidamide
CID 169367126
2-chloro-N'-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]ethanimidamide
CID 169368127
2-chloro-N'-(3-chloro-2-morpholin-4-ylphenyl)ethanimidamide
CID 169367595
2-chloro-N'-(2,3,4-trichlorophenyl)ethanimidamide
CID 169365543
1-(aminodiazenyl)-3-chloro-2-methylbenzene
CID 126516374
2-chloro-N'-(2,4-dimethylphenyl)ethanimidamide
CID 169365317
2-chloro-N'-(2,6-dibromo-4-chloro-3-methylphenyl)ethanimidamide
CID 169365391

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(3-chloro-2-methylphenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(3-chloro-2-methylphenyl)ethanimidamide (CID 169369825) is 2-chloro-N'-(3-chloro-2-methylphenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(3-chloro-2-methylphenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(3-chloro-2-methylphenyl)ethanimidamide is Cc1c(Cl)cccc1/N=C(/N)CCl.
What is the InChIKey of 2-chloro-N'-(3-chloro-2-methylphenyl)ethanimidamide?
The InChIKey is NTHXUCHHMCOIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2/c1-6-7(11)3-2-4-8(6)13-9(12)5-10/h2-4H,5H2,1H3,(H2,12,13).
What are the key properties of 2-chloro-N'-(3-chloro-2-methylphenyl)ethanimidamide?
2-chloro-N'-(3-chloro-2-methylphenyl)ethanimidamide has a molecular weight of 217.10 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(3-chloro-2-methylphenyl)ethanimidamide is sourced from PubChem (CID 169369825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).