2,2-bis(4-chlorophenyl)-N,N'-dimethylethanimidamide;hydrochloride

C16H17Cl3N2 — CID 45260061

IUPAC2,2-bis(4-chlorophenyl)-N,N'-dimethylethanimidamide;hydrochloride
SMILESC/N=C(\NC)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C16H16Cl2N2.ClH/c1-19-16(20-2)15(11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12;/h3-10,15H,1-2H3,(H,19,20);1H
InChIKeySNRCGNKVVBJDDS-UHFFFAOYSA-N
MW343.69 g/mol
LogP4.79
Rot. Bonds3

About 2,2-bis(4-chlorophenyl)-N,N'-dimethylethanimidamide;hydrochloride

2,2-bis(4-chlorophenyl)-N,N'-dimethylethanimidamide;hydrochloride (PubChem CID 45260061) has the molecular formula C16H17Cl3N2 and a molecular weight of 343.69 g/mol. Its IUPAC name is 2,2-bis(4-chlorophenyl)-N,N'-dimethylethanimidamide;hydrochloride.

Molecular Properties

Compound Name2,2-bis(4-chlorophenyl)-N,N'-dimethylethanimidamide;hydrochloride
PubChem CID45260061
Molecular FormulaC16H17Cl3N2
Molecular Weight343.69 g/mol
Exact Mass342.05
IUPAC Name2,2-bis(4-chlorophenyl)-N,N'-dimethylethanimidamide;hydrochloride
SMILESC/N=C(\NC)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C16H16Cl2N2.ClH/c1-19-16(20-2)15(11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12;/h3-10,15H,1-2H3,(H,19,20);1H
InChIKeySNRCGNKVVBJDDS-UHFFFAOYSA-N
XLogP4.79
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.69
LogP ≤ 54.79
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-chlorophenyl)-N,N'-dimethylethanimidamide;hydrochloride?
The IUPAC name of 2,2-bis(4-chlorophenyl)-N,N'-dimethylethanimidamide;hydrochloride (CID 45260061) is 2,2-bis(4-chlorophenyl)-N,N'-dimethylethanimidamide;hydrochloride.
What is the SMILES notation for 2,2-bis(4-chlorophenyl)-N,N'-dimethylethanimidamide;hydrochloride?
The canonical SMILES for 2,2-bis(4-chlorophenyl)-N,N'-dimethylethanimidamide;hydrochloride is C/N=C(\NC)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 2,2-bis(4-chlorophenyl)-N,N'-dimethylethanimidamide;hydrochloride?
The InChIKey is SNRCGNKVVBJDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2.ClH/c1-19-16(20-2)15(11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12;/h3-10,15H,1-2H3,(H,19,20);1H.
What are the key properties of 2,2-bis(4-chlorophenyl)-N,N'-dimethylethanimidamide;hydrochloride?
2,2-bis(4-chlorophenyl)-N,N'-dimethylethanimidamide;hydrochloride has a molecular weight of 343.69 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-chlorophenyl)-N,N'-dimethylethanimidamide;hydrochloride is sourced from PubChem (CID 45260061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).