N-[(2,4-dichlorophenyl)methylideneamino]-3-hydroxy-4-methoxybenzamide

C15H12Cl2N2O3 — CID 123861498

IUPACN-[(2,4-dichlorophenyl)methylideneamino]-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NN=Cc2ccc(Cl)cc2Cl)cc1O
InChIInChI=1S/C15H12Cl2N2O3/c1-22-14-5-3-9(6-13(14)20)15(21)19-18-8-10-2-4-11(16)7-12(10)17/h2-8,20H,1H3,(H,19,21)
InChIKeyLETODSGZYCODEQ-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.47
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methylideneamino]-3-hydroxy-4-methoxybenzamide

N-[(2,4-dichlorophenyl)methylideneamino]-3-hydroxy-4-methoxybenzamide (PubChem CID 123861498) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methylideneamino]-3-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methylideneamino]-3-hydroxy-4-methoxybenzamide
PubChem CID123861498
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC NameN-[(2,4-dichlorophenyl)methylideneamino]-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NN=Cc2ccc(Cl)cc2Cl)cc1O
InChIInChI=1S/C15H12Cl2N2O3/c1-22-14-5-3-9(6-13(14)20)15(21)19-18-8-10-2-4-11(16)7-12(10)17/h2-8,20H,1H3,(H,19,21)
InChIKeyLETODSGZYCODEQ-UHFFFAOYSA-N
XLogP3.47
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6910490
N-[(2,4-dichlorophenyl)methylideneamino]-4-iodo-3-methoxybenzamide
CID 5160595
1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 139078702
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide
CID 872770
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide
CID 6018183
4-chloro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 6870625
N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 9060329
4-chloro-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]benzamide
CID 691020
N-[(5-chloro-2-methoxyphenyl)methylideneamino]-2,4,5-trihydroxybenzamide
CID 123734765
N-[(2,4-dichlorophenyl)methylideneamino]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 4297115
N-(5-chloro-2-methoxyphenyl)-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide
CID 4520831

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-3-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-3-hydroxy-4-methoxybenzamide (CID 123861498) is N-[(2,4-dichlorophenyl)methylideneamino]-3-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methylideneamino]-3-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methylideneamino]-3-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NN=Cc2ccc(Cl)cc2Cl)cc1O.
What is the InChIKey of N-[(2,4-dichlorophenyl)methylideneamino]-3-hydroxy-4-methoxybenzamide?
The InChIKey is LETODSGZYCODEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c1-22-14-5-3-9(6-13(14)20)15(21)19-18-8-10-2-4-11(16)7-12(10)17/h2-8,20H,1H3,(H,19,21).
What are the key properties of N-[(2,4-dichlorophenyl)methylideneamino]-3-hydroxy-4-methoxybenzamide?
N-[(2,4-dichlorophenyl)methylideneamino]-3-hydroxy-4-methoxybenzamide has a molecular weight of 339.18 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methylideneamino]-3-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 123861498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).