N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide

C15H12Cl2N2O2 — CID 6018183

IUPACN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N/N=C\c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N2O2/c1-21-14-5-3-2-4-12(14)15(20)19-18-9-10-6-7-11(16)8-13(10)17/h2-9H,1H3,(H,19,20)/b18-9-
InChIKeyVAUIKHBHXXRBDW-NVMNQCDNSA-N
MW323.18 g/mol
LogP3.77
Rot. Bonds4

About N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide

N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide (PubChem CID 6018183) has the molecular formula C15H12Cl2N2O2 and a molecular weight of 323.18 g/mol. Its IUPAC name is N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide
PubChem CID6018183
Molecular FormulaC15H12Cl2N2O2
Molecular Weight323.18 g/mol
Exact Mass322.03
IUPAC NameN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N/N=C\c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N2O2/c1-21-14-5-3-2-4-12(14)15(20)19-18-9-10-6-7-11(16)8-13(10)17/h2-9H,1H3,(H,19,20)/b18-9-
InChIKeyVAUIKHBHXXRBDW-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

N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 54784673
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
2,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5403738
N-[(2,4-dichlorophenyl)methylideneamino]-2-propoxybenzamide
CID 4931422
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6910490
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide
CID 6299939
N-[(E)-(3,5-dichloro-2,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 136712147
N-[(2,4-dichlorophenyl)methylideneamino]-3-hydroxy-4-methoxybenzamide
CID 123861498
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 139078702
N'-[(E)-(2,4-dichlorophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 5334540
N-[(2,4-dichlorophenyl)methylideneamino]-4-iodo-3-methoxybenzamide
CID 5160595
2-[(4-bromophenyl)methoxy]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 97413810

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide?
The IUPAC name of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide (CID 6018183) is N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide.
What is the SMILES notation for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide?
The canonical SMILES for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide is COc1ccccc1C(=O)N/N=C\c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide?
The InChIKey is VAUIKHBHXXRBDW-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2/c1-21-14-5-3-2-4-12(14)15(20)19-18-9-10-6-7-11(16)8-13(10)17/h2-9H,1H3,(H,19,20)/b18-9-.
What are the key properties of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide?
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide 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 N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide is sourced from PubChem (CID 6018183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).