4-chloro-2-[(E)-N-(2-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline

C17H19Cl2N3 — CID 58987654

IUPAC4-chloro-2-[(E)-N-(2-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline
SMILESC/C(=N\N(C)c1ccccc1Cl)c1cc(Cl)ccc1N(C)C
InChIInChI=1S/C17H19Cl2N3/c1-12(14-11-13(18)9-10-16(14)21(2)3)20-22(4)17-8-6-5-7-15(17)19/h5-11H,1-4H3/b20-12+
InChIKeyNYFFBCMRTZOMFR-UDWIEESQSA-N
MW336.27 g/mol
LogP4.92
Rot. Bonds4

About 4-chloro-2-[(E)-N-(2-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline

4-chloro-2-[(E)-N-(2-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline (PubChem CID 58987654) has the molecular formula C17H19Cl2N3 and a molecular weight of 336.27 g/mol. Its IUPAC name is 4-chloro-2-[(E)-N-(2-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-chloro-2-[(E)-N-(2-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline
PubChem CID58987654
Molecular FormulaC17H19Cl2N3
Molecular Weight336.27 g/mol
Exact Mass335.10
IUPAC Name4-chloro-2-[(E)-N-(2-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline
SMILESC/C(=N\N(C)c1ccccc1Cl)c1cc(Cl)ccc1N(C)C
InChIInChI=1S/C17H19Cl2N3/c1-12(14-11-13(18)9-10-16(14)21(2)3)20-22(4)17-8-6-5-7-15(17)19/h5-11H,1-4H3/b20-12+
InChIKeyNYFFBCMRTZOMFR-UDWIEESQSA-N
XLogP4.92
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-N-(2-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline?
The IUPAC name of 4-chloro-2-[(E)-N-(2-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline (CID 58987654) is 4-chloro-2-[(E)-N-(2-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-chloro-2-[(E)-N-(2-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline?
The canonical SMILES for 4-chloro-2-[(E)-N-(2-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline is C/C(=N\N(C)c1ccccc1Cl)c1cc(Cl)ccc1N(C)C.
What is the InChIKey of 4-chloro-2-[(E)-N-(2-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline?
The InChIKey is NYFFBCMRTZOMFR-UDWIEESQSA-N. The full InChI is InChI=1S/C17H19Cl2N3/c1-12(14-11-13(18)9-10-16(14)21(2)3)20-22(4)17-8-6-5-7-15(17)19/h5-11H,1-4H3/b20-12+.
What are the key properties of 4-chloro-2-[(E)-N-(2-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline?
4-chloro-2-[(E)-N-(2-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline has a molecular weight of 336.27 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-N-(2-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline is sourced from PubChem (CID 58987654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).