2,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide

C15H12Cl2N2O2 — CID 5403738

IUPAC2,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccccc1/C=N\NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N2O2/c1-21-14-5-3-2-4-10(14)9-18-19-15(20)12-7-6-11(16)8-13(12)17/h2-9H,1H3,(H,19,20)/b18-9-
InChIKeyJCFJLEVZYGCJQT-NVMNQCDNSA-N
MW323.18 g/mol
LogP3.77
Rot. Bonds4

About 2,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide

2,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide (PubChem CID 5403738) has the molecular formula C15H12Cl2N2O2 and a molecular weight of 323.18 g/mol. Its IUPAC name is 2,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
PubChem CID5403738
Molecular FormulaC15H12Cl2N2O2
Molecular Weight323.18 g/mol
Exact Mass322.03
IUPAC Name2,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccccc1/C=N\NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N2O2/c1-21-14-5-3-2-4-10(14)9-18-19-15(20)12-7-6-11(16)8-13(12)17/h2-9H,1H3,(H,19,20)/b18-9-
InChIKeyJCFJLEVZYGCJQT-NVMNQCDNSA-N
XLogP3.77
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.77
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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Related Compounds

2,4-dichloro-N-[(2,5-dimethoxyphenyl)methylideneamino]benzamide
CID 3623191
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide
CID 6018183
3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 913510
2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 6036717
2,4-dichloro-N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide
CID 3849495
2,4-dichloro-N-[(E)-[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110339606
2,4-dichloro-N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 137131275
[4-[(E)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 110341009
2,4-dihydroxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 6287752
2,4-dichloro-N-(naphthalen-1-ylmethylideneamino)benzamide
CID 5070346
2-chloro-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6871464
N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 54784673

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide (CID 5403738) is 2,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide is COc1ccccc1/C=N\NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is JCFJLEVZYGCJQT-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2/c1-21-14-5-3-2-4-10(14)9-18-19-15(20)12-7-6-11(16)8-13(12)17/h2-9H,1H3,(H,19,20)/b18-9-.
What are the key properties of 2,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide?
2,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 323.18 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5403738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).