3,4-dichloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-ethylaniline

C17H18Cl3N3 — CID 58987820

IUPAC3,4-dichloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-ethylaniline
SMILESCCN(/N=C(\C)c1cc(Cl)ccc1NC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl3N3/c1-4-23(13-6-7-15(19)16(20)10-13)22-11(2)14-9-12(18)5-8-17(14)21-3/h5-10,21H,4H2,1-3H3/b22-11+
InChIKeyAYTDUKLTEBNHKF-SSDVNMTOSA-N
MW370.71 g/mol
LogP5.94
Rot. Bonds5

About 3,4-dichloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-ethylaniline

3,4-dichloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-ethylaniline (PubChem CID 58987820) has the molecular formula C17H18Cl3N3 and a molecular weight of 370.71 g/mol. Its IUPAC name is 3,4-dichloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-ethylaniline.

Molecular Properties

Compound Name3,4-dichloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-ethylaniline
PubChem CID58987820
Molecular FormulaC17H18Cl3N3
Molecular Weight370.71 g/mol
Exact Mass369.06
IUPAC Name3,4-dichloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-ethylaniline
SMILESCCN(/N=C(\C)c1cc(Cl)ccc1NC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl3N3/c1-4-23(13-6-7-15(19)16(20)10-13)22-11(2)14-9-12(18)5-8-17(14)21-3/h5-10,21H,4H2,1-3H3/b22-11+
InChIKeyAYTDUKLTEBNHKF-SSDVNMTOSA-N
XLogP5.94
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.71
LogP ≤ 55.94
H-Bond Donors ≤ 51
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 3,4-dichloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-ethylaniline?
The IUPAC name of 3,4-dichloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-ethylaniline (CID 58987820) is 3,4-dichloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-ethylaniline.
What is the SMILES notation for 3,4-dichloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-ethylaniline?
The canonical SMILES for 3,4-dichloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-ethylaniline is CCN(/N=C(\C)c1cc(Cl)ccc1NC)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-ethylaniline?
The InChIKey is AYTDUKLTEBNHKF-SSDVNMTOSA-N. The full InChI is InChI=1S/C17H18Cl3N3/c1-4-23(13-6-7-15(19)16(20)10-13)22-11(2)14-9-12(18)5-8-17(14)21-3/h5-10,21H,4H2,1-3H3/b22-11+.
What are the key properties of 3,4-dichloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-ethylaniline?
3,4-dichloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-ethylaniline has a molecular weight of 370.71 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-ethylaniline is sourced from PubChem (CID 58987820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).