3,4-dichloro-N,N'-dimethylbenzenecarboximidamide;hydrochloride

C9H11Cl3N2 — CID 3027161

IUPAC3,4-dichloro-N,N'-dimethylbenzenecarboximidamide;hydrochloride
SMILESC/N=C(\NC)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C9H10Cl2N2.ClH/c1-12-9(13-2)6-3-4-7(10)8(11)5-6;/h3-5H,1-2H3,(H,12,13);1H
InChIKeySESUZOLXSAPAIT-UHFFFAOYSA-N
MW253.56 g/mol
LogP3.01
Rot. Bonds1

About 3,4-dichloro-N,N'-dimethylbenzenecarboximidamide;hydrochloride

3,4-dichloro-N,N'-dimethylbenzenecarboximidamide;hydrochloride (PubChem CID 3027161) has the molecular formula C9H11Cl3N2 and a molecular weight of 253.56 g/mol. Its IUPAC name is 3,4-dichloro-N,N'-dimethylbenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name3,4-dichloro-N,N'-dimethylbenzenecarboximidamide;hydrochloride
PubChem CID3027161
Molecular FormulaC9H11Cl3N2
Molecular Weight253.56 g/mol
Exact Mass252.00
IUPAC Name3,4-dichloro-N,N'-dimethylbenzenecarboximidamide;hydrochloride
SMILESC/N=C(\NC)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C9H10Cl2N2.ClH/c1-12-9(13-2)6-3-4-7(10)8(11)5-6;/h3-5H,1-2H3,(H,12,13);1H
InChIKeySESUZOLXSAPAIT-UHFFFAOYSA-N
XLogP3.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.56
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4-dichloro-N,N'-dimethylbenzenecarboximidamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N,N'-dimethylbenzenecarboximidamide;hydrochloride?
The IUPAC name of 3,4-dichloro-N,N'-dimethylbenzenecarboximidamide;hydrochloride (CID 3027161) is 3,4-dichloro-N,N'-dimethylbenzenecarboximidamide;hydrochloride.
What is the SMILES notation for 3,4-dichloro-N,N'-dimethylbenzenecarboximidamide;hydrochloride?
The canonical SMILES for 3,4-dichloro-N,N'-dimethylbenzenecarboximidamide;hydrochloride is C/N=C(\NC)c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 3,4-dichloro-N,N'-dimethylbenzenecarboximidamide;hydrochloride?
The InChIKey is SESUZOLXSAPAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2.ClH/c1-12-9(13-2)6-3-4-7(10)8(11)5-6;/h3-5H,1-2H3,(H,12,13);1H.
What are the key properties of 3,4-dichloro-N,N'-dimethylbenzenecarboximidamide;hydrochloride?
3,4-dichloro-N,N'-dimethylbenzenecarboximidamide;hydrochloride has a molecular weight of 253.56 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N,N'-dimethylbenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 3027161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).