2-chloro-N'-(6-chloro-3-iodo-2-methoxyphenyl)ethanimidamide

C9H9Cl2IN2O — CID 169366946

IUPAC2-chloro-N'-(6-chloro-3-iodo-2-methoxyphenyl)ethanimidamide
SMILESCOc1c(I)ccc(Cl)c1/N=C(/N)CCl
InChIInChI=1S/C9H9Cl2IN2O/c1-15-9-6(12)3-2-5(11)8(9)14-7(13)4-10/h2-3H,4H2,1H3,(H2,13,14)
InChIKeyZBSLUKWTCXPFTN-UHFFFAOYSA-N
MW358.99 g/mol
LogP3.18
Rot. Bonds3

About 2-chloro-N'-(6-chloro-3-iodo-2-methoxyphenyl)ethanimidamide

2-chloro-N'-(6-chloro-3-iodo-2-methoxyphenyl)ethanimidamide (PubChem CID 169366946) has the molecular formula C9H9Cl2IN2O and a molecular weight of 358.99 g/mol. Its IUPAC name is 2-chloro-N'-(6-chloro-3-iodo-2-methoxyphenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(6-chloro-3-iodo-2-methoxyphenyl)ethanimidamide
PubChem CID169366946
Molecular FormulaC9H9Cl2IN2O
Molecular Weight358.99 g/mol
Exact Mass357.91
IUPAC Name2-chloro-N'-(6-chloro-3-iodo-2-methoxyphenyl)ethanimidamide
SMILESCOc1c(I)ccc(Cl)c1/N=C(/N)CCl
InChIInChI=1S/C9H9Cl2IN2O/c1-15-9-6(12)3-2-5(11)8(9)14-7(13)4-10/h2-3H,4H2,1H3,(H2,13,14)
InChIKeyZBSLUKWTCXPFTN-UHFFFAOYSA-N
XLogP3.18
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.99
LogP ≤ 53.18
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(1-amino-2-chloroethylidene)amino]-6-chloro-3-methylbenzoic acid
CID 169366705
2-chloro-N'-(2-chloro-4-cyano-6-iodophenyl)ethanimidamide
CID 169366175
2-chloro-N'-[2-chloro-6-iodo-4-(trifluoromethoxy)phenyl]ethanimidamide
CID 169369383
2-[(1-amino-2-chloroethylidene)amino]-3,4,5-trimethoxybenzoic acid
CID 169365503
2-chloro-N'-(2,5-dichloro-4-methoxyphenyl)ethanimidamide
CID 169369479
2-chloro-N'-(4-chloro-2,5-dimethoxyphenyl)ethanimidamide
CID 169369656
6-chloro-3-iodo-2-methoxybenzoyl chloride
CID 171003173
methyl 2-[(1-amino-2-chloroethylidene)amino]-3,4,5-trimethoxybenzoate
CID 169368257
2-chloro-N'-(2,3,4-trichlorophenyl)ethanimidamide
CID 169365543
2-chloro-N'-(2,6-dichloro-4-cyanophenyl)ethanimidamide
CID 169369477
2-(6-chloro-3-iodo-2-methoxyphenyl)acetonitrile
CID 171003444
2-chloro-N'-(6-cyano-3-methoxy-2-methylphenyl)ethanimidamide
CID 169366267

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(6-chloro-3-iodo-2-methoxyphenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(6-chloro-3-iodo-2-methoxyphenyl)ethanimidamide (CID 169366946) is 2-chloro-N'-(6-chloro-3-iodo-2-methoxyphenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(6-chloro-3-iodo-2-methoxyphenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(6-chloro-3-iodo-2-methoxyphenyl)ethanimidamide is COc1c(I)ccc(Cl)c1/N=C(/N)CCl.
What is the InChIKey of 2-chloro-N'-(6-chloro-3-iodo-2-methoxyphenyl)ethanimidamide?
The InChIKey is ZBSLUKWTCXPFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2IN2O/c1-15-9-6(12)3-2-5(11)8(9)14-7(13)4-10/h2-3H,4H2,1H3,(H2,13,14).
What are the key properties of 2-chloro-N'-(6-chloro-3-iodo-2-methoxyphenyl)ethanimidamide?
2-chloro-N'-(6-chloro-3-iodo-2-methoxyphenyl)ethanimidamide has a molecular weight of 358.99 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(6-chloro-3-iodo-2-methoxyphenyl)ethanimidamide is sourced from PubChem (CID 169366946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).