3-chloro-4-[[[2-chloro-4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-N,N-dimethylaniline

C18H20Cl2N4 — CID 4183721

IUPAC3-chloro-4-[[[2-chloro-4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C=NN=Cc2ccc(N(C)C)cc2Cl)c(Cl)c1
InChIInChI=1S/C18H20Cl2N4/c1-23(2)15-7-5-13(17(19)9-15)11-21-22-12-14-6-8-16(24(3)4)10-18(14)20/h5-12H,1-4H3
InChIKeyDPNROQKODOXKPL-UHFFFAOYSA-N
MW363.29 g/mol
LogP4.58
Rot. Bonds5

About 3-chloro-4-[[[2-chloro-4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-N,N-dimethylaniline

3-chloro-4-[[[2-chloro-4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-N,N-dimethylaniline (PubChem CID 4183721) has the molecular formula C18H20Cl2N4 and a molecular weight of 363.29 g/mol. Its IUPAC name is 3-chloro-4-[[[2-chloro-4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-chloro-4-[[[2-chloro-4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-N,N-dimethylaniline
PubChem CID4183721
Molecular FormulaC18H20Cl2N4
Molecular Weight363.29 g/mol
Exact Mass362.11
IUPAC Name3-chloro-4-[[[2-chloro-4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C=NN=Cc2ccc(N(C)C)cc2Cl)c(Cl)c1
InChIInChI=1S/C18H20Cl2N4/c1-23(2)15-7-5-13(17(19)9-15)11-21-22-12-14-6-8-16(24(3)4)10-18(14)20/h5-12H,1-4H3
InChIKeyDPNROQKODOXKPL-UHFFFAOYSA-N
XLogP4.58
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-chloro-4-[[[2-chloro-4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-N,N-dimethylaniline?
The IUPAC name of 3-chloro-4-[[[2-chloro-4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-N,N-dimethylaniline (CID 4183721) is 3-chloro-4-[[[2-chloro-4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-chloro-4-[[[2-chloro-4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-N,N-dimethylaniline?
The canonical SMILES for 3-chloro-4-[[[2-chloro-4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-N,N-dimethylaniline is CN(C)c1ccc(C=NN=Cc2ccc(N(C)C)cc2Cl)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[[[2-chloro-4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-N,N-dimethylaniline?
The InChIKey is DPNROQKODOXKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4/c1-23(2)15-7-5-13(17(19)9-15)11-21-22-12-14-6-8-16(24(3)4)10-18(14)20/h5-12H,1-4H3.
What are the key properties of 3-chloro-4-[[[2-chloro-4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-N,N-dimethylaniline?
3-chloro-4-[[[2-chloro-4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-N,N-dimethylaniline has a molecular weight of 363.29 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[[2-chloro-4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 4183721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).