4-chloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylbenzamide

C17H17Cl2N3O — CID 58987672

IUPAC4-chloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylbenzamide
SMILESCNc1ccc(Cl)cc1/C(C)=N/N(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17Cl2N3O/c1-11(15-10-14(19)8-9-16(15)20-2)21-22(3)17(23)12-4-6-13(18)7-5-12/h4-10,20H,1-3H3/b21-11+
InChIKeyJQNJIKDWXONXHL-SRZZPIQSSA-N
MW350.25 g/mol
LogP4.53
Rot. Bonds4

About 4-chloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylbenzamide

4-chloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylbenzamide (PubChem CID 58987672) has the molecular formula C17H17Cl2N3O and a molecular weight of 350.25 g/mol. Its IUPAC name is 4-chloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylbenzamide
PubChem CID58987672
Molecular FormulaC17H17Cl2N3O
Molecular Weight350.25 g/mol
Exact Mass349.07
IUPAC Name4-chloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylbenzamide
SMILESCNc1ccc(Cl)cc1/C(C)=N/N(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17Cl2N3O/c1-11(15-10-14(19)8-9-16(15)20-2)21-22(3)17(23)12-4-6-13(18)7-5-12/h4-10,20H,1-3H3/b21-11+
InChIKeyJQNJIKDWXONXHL-SRZZPIQSSA-N
XLogP4.53
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.53
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 4-chloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylbenzamide?
The IUPAC name of 4-chloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylbenzamide (CID 58987672) is 4-chloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylbenzamide.
What is the SMILES notation for 4-chloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylbenzamide?
The canonical SMILES for 4-chloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylbenzamide is CNc1ccc(Cl)cc1/C(C)=N/N(C)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylbenzamide?
The InChIKey is JQNJIKDWXONXHL-SRZZPIQSSA-N. The full InChI is InChI=1S/C17H17Cl2N3O/c1-11(15-10-14(19)8-9-16(15)20-2)21-22(3)17(23)12-4-6-13(18)7-5-12/h4-10,20H,1-3H3/b21-11+.
What are the key properties of 4-chloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylbenzamide?
4-chloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylbenzamide has a molecular weight of 350.25 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylbenzamide is sourced from PubChem (CID 58987672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).