2-amino-N-[(2,6-dichlorophenyl)methylideneamino]benzamide

C14H11Cl2N3O — CID 680916

IUPAC2-amino-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
SMILESNc1ccccc1C(=O)NN=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2N3O/c15-11-5-3-6-12(16)10(11)8-18-19-14(20)9-4-1-2-7-13(9)17/h1-8H,17H2,(H,19,20)
InChIKeyOYZSXJIMBMLZON-UHFFFAOYSA-N
MW308.17 g/mol
LogP3.34
Rot. Bonds3

About 2-amino-N-[(2,6-dichlorophenyl)methylideneamino]benzamide

2-amino-N-[(2,6-dichlorophenyl)methylideneamino]benzamide (PubChem CID 680916) has the molecular formula C14H11Cl2N3O and a molecular weight of 308.17 g/mol. Its IUPAC name is 2-amino-N-[(2,6-dichlorophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-amino-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
PubChem CID680916
Molecular FormulaC14H11Cl2N3O
Molecular Weight308.17 g/mol
Exact Mass307.03
IUPAC Name2-amino-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
SMILESNc1ccccc1C(=O)NN=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2N3O/c15-11-5-3-6-12(16)10(11)8-18-19-14(20)9-4-1-2-7-13(9)17/h1-8H,17H2,(H,19,20)
InChIKeyOYZSXJIMBMLZON-UHFFFAOYSA-N
XLogP3.34
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.34
H-Bond Donors ≤ 52
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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Related Compounds

N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-methylbenzamide
CID 5418287
N-[(2-chloro-6-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 137029868
2-chloro-N-[(Z)-(2,6-dimethylphenyl)methylideneamino]benzamide
CID 7416956
2-amino-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
CID 3395739
4-amino-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide
CID 6898711
5-bromo-N-[(2,6-dichlorophenyl)methylideneamino]-2-hydroxybenzamide
CID 2246619
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2-fluorobenzoyl)amino]benzamide
CID 94831737
2-amino-N-(ethylideneamino)benzamide
CID 171131868
1-[(2-chlorophenyl)methyl]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524447
2-N,5-N-bis[(Z)-(2,6-dichlorophenyl)methylideneamino]furan-2,5-dicarboxamide
CID 6161327
2-amino-N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 21370994
2-amino-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 87421764

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2,6-dichlorophenyl)methylideneamino]benzamide?
The IUPAC name of 2-amino-N-[(2,6-dichlorophenyl)methylideneamino]benzamide (CID 680916) is 2-amino-N-[(2,6-dichlorophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-amino-N-[(2,6-dichlorophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-amino-N-[(2,6-dichlorophenyl)methylideneamino]benzamide is Nc1ccccc1C(=O)NN=Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-amino-N-[(2,6-dichlorophenyl)methylideneamino]benzamide?
The InChIKey is OYZSXJIMBMLZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O/c15-11-5-3-6-12(16)10(11)8-18-19-14(20)9-4-1-2-7-13(9)17/h1-8H,17H2,(H,19,20).
What are the key properties of 2-amino-N-[(2,6-dichlorophenyl)methylideneamino]benzamide?
2-amino-N-[(2,6-dichlorophenyl)methylideneamino]benzamide has a molecular weight of 308.17 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2,6-dichlorophenyl)methylideneamino]benzamide is sourced from PubChem (CID 680916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).