2-chloro-N'-(2,5-dichloro-4-methoxyphenyl)ethanimidamide

C9H9Cl3N2O — CID 169369479

IUPAC2-chloro-N'-(2,5-dichloro-4-methoxyphenyl)ethanimidamide
SMILESCOc1cc(Cl)c(/N=C(/N)CCl)cc1Cl
InChIInChI=1S/C9H9Cl3N2O/c1-15-8-3-5(11)7(2-6(8)12)14-9(13)4-10/h2-3H,4H2,1H3,(H2,13,14)
InChIKeyZIDFTBDTODOCBG-UHFFFAOYSA-N
MW267.54 g/mol
LogP3.23
Rot. Bonds3

About 2-chloro-N'-(2,5-dichloro-4-methoxyphenyl)ethanimidamide

2-chloro-N'-(2,5-dichloro-4-methoxyphenyl)ethanimidamide (PubChem CID 169369479) has the molecular formula C9H9Cl3N2O and a molecular weight of 267.54 g/mol. Its IUPAC name is 2-chloro-N'-(2,5-dichloro-4-methoxyphenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(2,5-dichloro-4-methoxyphenyl)ethanimidamide
PubChem CID169369479
Molecular FormulaC9H9Cl3N2O
Molecular Weight267.54 g/mol
Exact Mass265.98
IUPAC Name2-chloro-N'-(2,5-dichloro-4-methoxyphenyl)ethanimidamide
SMILESCOc1cc(Cl)c(/N=C(/N)CCl)cc1Cl
InChIInChI=1S/C9H9Cl3N2O/c1-15-8-3-5(11)7(2-6(8)12)14-9(13)4-10/h2-3H,4H2,1H3,(H2,13,14)
InChIKeyZIDFTBDTODOCBG-UHFFFAOYSA-N
XLogP3.23
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.54
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-(2,5-dichloro-4-methoxyphenyl)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-chloro-N'-(4-chloro-2,5-dimethoxyphenyl)ethanimidamide
CID 169369656
4-[(1-amino-2-chloroethylidene)amino]-5-chloro-2-methoxybenzoic acid
CID 169365021
N'-(5-tert-butyl-2-methoxyphenyl)-2-chloroethanimidamide
CID 169369525
4-[(1-amino-2-chloroethylidene)amino]-3-methoxybenzoic acid
CID 169365205
2-chloro-N'-[2-methoxy-5-(trifluoromethyl)phenyl]ethanimidamide
CID 169369585
N'-(4-chloro-2-methoxy-5-methylphenyl)propanimidamide
CID 63174253
2-(4-chloro-2,5-dimethoxyphenyl)-1-hydroxyguanidine
CID 62481867
3-[(1-amino-2-chloroethylidene)amino]-4-methoxy-N-methylbenzamide
CID 169366293
3-[(1-amino-2-chloroethylidene)amino]-4-methoxy-N,N-dimethylbenzamide
CID 169365940
2-chloro-N'-(4,5-dichloro-2-cyanophenyl)ethanimidamide
CID 169369229
2-chloro-N'-[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]ethanimidamide
CID 169365601
2-[(1-amino-2-chloroethylidene)amino]-N-(3,4-dimethoxyphenyl)benzamide
CID 169369448

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(2,5-dichloro-4-methoxyphenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(2,5-dichloro-4-methoxyphenyl)ethanimidamide (CID 169369479) is 2-chloro-N'-(2,5-dichloro-4-methoxyphenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(2,5-dichloro-4-methoxyphenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(2,5-dichloro-4-methoxyphenyl)ethanimidamide is COc1cc(Cl)c(/N=C(/N)CCl)cc1Cl.
What is the InChIKey of 2-chloro-N'-(2,5-dichloro-4-methoxyphenyl)ethanimidamide?
The InChIKey is ZIDFTBDTODOCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl3N2O/c1-15-8-3-5(11)7(2-6(8)12)14-9(13)4-10/h2-3H,4H2,1H3,(H2,13,14).
What are the key properties of 2-chloro-N'-(2,5-dichloro-4-methoxyphenyl)ethanimidamide?
2-chloro-N'-(2,5-dichloro-4-methoxyphenyl)ethanimidamide has a molecular weight of 267.54 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(2,5-dichloro-4-methoxyphenyl)ethanimidamide is sourced from PubChem (CID 169369479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).