N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide

C15H13Cl2N3O2 — CID 135520648

IUPACN-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)N/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H13Cl2N3O2/c1-18-13-5-3-2-4-11(13)15(22)20-19-8-9-6-10(16)7-12(17)14(9)21/h2-8,18,21H,1H3,(H,20,22)/b19-8+
InChIKeyRLTARAGCMYAINN-UFWORHAWSA-N
MW338.19 g/mol
LogP3.50
Rot. Bonds4

About N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide

N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide (PubChem CID 135520648) has the molecular formula C15H13Cl2N3O2 and a molecular weight of 338.19 g/mol. Its IUPAC name is N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide
PubChem CID135520648
Molecular FormulaC15H13Cl2N3O2
Molecular Weight338.19 g/mol
Exact Mass337.04
IUPAC NameN-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)N/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H13Cl2N3O2/c1-18-13-5-3-2-4-11(13)15(22)20-19-8-9-6-10(16)7-12(17)14(9)21/h2-8,18,21H,1H3,(H,20,22)/b19-8+
InChIKeyRLTARAGCMYAINN-UFWORHAWSA-N
XLogP3.50
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

6-chloro-N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
CID 156011938
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 135520574
N'-(3,5-dichloro-2-hydroxybenzylidene)-2-nitrobenzohydrazide
CID 135495624
2-chloro-N-(2-{[2-(2-hydroxybenzylidene)hydrazino]carbonyl}phenyl)benzamide
CID 135479228
2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzamide
CID 2796519
4-Chloro-N-(2-{N'-[(E)-(2-hydroxyphenyl)methylidene]hydrazinecarbonyl}phenyl)benzamide
CID 135685065
3-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-6-iodo-2-methylquinazolin-4-one
CID 155542432
(e)-N'-(3,5-dichloro-2-hydroxybenzylidene)-7-chloro-6-fluoro-4-hydroxyquinoline-3-carbohydrazide
CID 167531274
3-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 135608174
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 135854178
2-amino-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide
CID 135781395
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-5-methyl-2-nitrobenzamide
CID 135445493

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide?
The IUPAC name of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide (CID 135520648) is N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide.
What is the SMILES notation for N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide?
The canonical SMILES for N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide is CNc1ccccc1C(=O)N/N=C/c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide?
The InChIKey is RLTARAGCMYAINN-UFWORHAWSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2/c1-18-13-5-3-2-4-11(13)15(22)20-19-8-9-6-10(16)7-12(17)14(9)21/h2-8,18,21H,1H3,(H,20,22)/b19-8+.
What are the key properties of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide?
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide has a molecular weight of 338.19 g/mol, XLogP of 3.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide is sourced from PubChem (CID 135520648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).