N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-4-chloro-N-methylbenzamide

C16H15Cl2N3O — CID 89326911

IUPACN-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-4-chloro-N-methylbenzamide
SMILESC/C(=N\N(C)C(=O)c1ccc(Cl)cc1)c1cc(Cl)ccc1N
InChIInChI=1S/C16H15Cl2N3O/c1-10(14-9-13(18)7-8-15(14)19)20-21(2)16(22)11-3-5-12(17)6-4-11/h3-9H,19H2,1-2H3/b20-10+
InChIKeyVVXAAZRMBHIEPZ-KEBDBYFISA-N
MW336.22 g/mol
LogP4.07
Rot. Bonds3

About N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-4-chloro-N-methylbenzamide

N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-4-chloro-N-methylbenzamide (PubChem CID 89326911) has the molecular formula C16H15Cl2N3O and a molecular weight of 336.22 g/mol. Its IUPAC name is N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-4-chloro-N-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-4-chloro-N-methylbenzamide
PubChem CID89326911
Molecular FormulaC16H15Cl2N3O
Molecular Weight336.22 g/mol
Exact Mass335.06
IUPAC NameN-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-4-chloro-N-methylbenzamide
SMILESC/C(=N\N(C)C(=O)c1ccc(Cl)cc1)c1cc(Cl)ccc1N
InChIInChI=1S/C16H15Cl2N3O/c1-10(14-9-13(18)7-8-15(14)19)20-21(2)16(22)11-3-5-12(17)6-4-11/h3-9H,19H2,1-2H3/b20-10+
InChIKeyVVXAAZRMBHIEPZ-KEBDBYFISA-N
XLogP4.07
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-4-chloro-N-methylbenzamide?
The IUPAC name of N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-4-chloro-N-methylbenzamide (CID 89326911) is N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-4-chloro-N-methylbenzamide.
What is the SMILES notation for N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-4-chloro-N-methylbenzamide?
The canonical SMILES for N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-4-chloro-N-methylbenzamide is C/C(=N\N(C)C(=O)c1ccc(Cl)cc1)c1cc(Cl)ccc1N.
What is the InChIKey of N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-4-chloro-N-methylbenzamide?
The InChIKey is VVXAAZRMBHIEPZ-KEBDBYFISA-N. The full InChI is InChI=1S/C16H15Cl2N3O/c1-10(14-9-13(18)7-8-15(14)19)20-21(2)16(22)11-3-5-12(17)6-4-11/h3-9H,19H2,1-2H3/b20-10+.
What are the key properties of N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-4-chloro-N-methylbenzamide?
N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-4-chloro-N-methylbenzamide has a molecular weight of 336.22 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-4-chloro-N-methylbenzamide is sourced from PubChem (CID 89326911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).