N'-(3,4-dichlorophenyl)-N,N-dimethylcarbamimidoyl chloride

C9H9Cl3N2 — CID 22370

IUPACN'-(3,4-dichlorophenyl)-N,N-dimethylcarbamimidoyl chloride
SMILESCN(C)/C(Cl)=N/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H9Cl3N2/c1-14(2)9(12)13-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3/b13-9+
InChIKeyWKQYAIDXQNGNIQ-UKTHLTGXSA-N
MW251.54 g/mol
LogP3.78
Rot. Bonds1

About N'-(3,4-dichlorophenyl)-N,N-dimethylcarbamimidoyl chloride

N'-(3,4-dichlorophenyl)-N,N-dimethylcarbamimidoyl chloride (PubChem CID 22370) has the molecular formula C9H9Cl3N2 and a molecular weight of 251.54 g/mol. Its IUPAC name is N'-(3,4-dichlorophenyl)-N,N-dimethylcarbamimidoyl chloride.

Molecular Properties

Compound NameN'-(3,4-dichlorophenyl)-N,N-dimethylcarbamimidoyl chloride
PubChem CID22370
Molecular FormulaC9H9Cl3N2
Molecular Weight251.54 g/mol
Exact Mass249.98
IUPAC NameN'-(3,4-dichlorophenyl)-N,N-dimethylcarbamimidoyl chloride
SMILESCN(C)/C(Cl)=N/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H9Cl3N2/c1-14(2)9(12)13-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3/b13-9+
InChIKeyWKQYAIDXQNGNIQ-UKTHLTGXSA-N
XLogP3.78
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.54
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Imidodicarbonimidic diamide, N-(3-chlorophenyl)-, hydrochloride (1:1)
CID 2730228
1,3,5-Triazine-2,4-diamine, 1-(3,4-dichlorophenyl)-1,6-dihydro-6,6-dimethyl-
CID 25889
FORMAMIDINE, N'-(p-CHLOROPHENYL)-N,N-DIMETHYL-
CID 16419
Biguanide, 1-(p-chlorophenyl)-, monohydrochloride
CID 458746
1-(3,4,5-Trichlorophenyl)guanidine
CID 10243306
1-(3,4-Dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 16207143
N-(3,4-dichlorophenyl)guanidine
CID 3613700
3,4-Dichlorophenylbiguanide
CID 151947
N'-(3,4-dichlorophenyl)-N,N-dimethylmethanimidamide
CID 300952
5-(3-chlorophenyl)imino-N,N-dimethyl-1,2,4-dithiazol-3-amine;hydrobromide
CID 360560
1-(3,4-Dichloro-phenyl)-6-methyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine
CID 416460
1-(Diaminomethylidene)-2-(3,4,5-trichlorophenyl)guanidine
CID 44269164

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dichlorophenyl)-N,N-dimethylcarbamimidoyl chloride?
The IUPAC name of N'-(3,4-dichlorophenyl)-N,N-dimethylcarbamimidoyl chloride (CID 22370) is N'-(3,4-dichlorophenyl)-N,N-dimethylcarbamimidoyl chloride.
What is the SMILES notation for N'-(3,4-dichlorophenyl)-N,N-dimethylcarbamimidoyl chloride?
The canonical SMILES for N'-(3,4-dichlorophenyl)-N,N-dimethylcarbamimidoyl chloride is CN(C)/C(Cl)=N/c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N'-(3,4-dichlorophenyl)-N,N-dimethylcarbamimidoyl chloride?
The InChIKey is WKQYAIDXQNGNIQ-UKTHLTGXSA-N. The full InChI is InChI=1S/C9H9Cl3N2/c1-14(2)9(12)13-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3/b13-9+.
What are the key properties of N'-(3,4-dichlorophenyl)-N,N-dimethylcarbamimidoyl chloride?
N'-(3,4-dichlorophenyl)-N,N-dimethylcarbamimidoyl chloride has a molecular weight of 251.54 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dichlorophenyl)-N,N-dimethylcarbamimidoyl chloride is sourced from PubChem (CID 22370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).