N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,3,4-trihydroxybenzamide

C14H10Cl2N2O4 — CID 71557223

IUPACN-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,3,4-trihydroxybenzamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(O)c(O)c1O
InChIInChI=1S/C14H10Cl2N2O4/c15-8-2-1-7(10(16)5-8)6-17-18-14(22)9-3-4-11(19)13(21)12(9)20/h1-6,19-21H,(H,18,22)/b17-6+
InChIKeyDFMJWTXZIFTKIT-UBKPWBPPSA-N
MW341.15 g/mol
LogP2.87
Rot. Bonds3

About N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,3,4-trihydroxybenzamide

N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,3,4-trihydroxybenzamide (PubChem CID 71557223) has the molecular formula C14H10Cl2N2O4 and a molecular weight of 341.15 g/mol. Its IUPAC name is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,3,4-trihydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,3,4-trihydroxybenzamide
PubChem CID71557223
Molecular FormulaC14H10Cl2N2O4
Molecular Weight341.15 g/mol
Exact Mass340.00
IUPAC NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,3,4-trihydroxybenzamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(O)c(O)c1O
InChIInChI=1S/C14H10Cl2N2O4/c15-8-2-1-7(10(16)5-8)6-17-18-14(22)9-3-4-11(19)13(21)12(9)20/h1-6,19-21H,(H,18,22)/b17-6+
InChIKeyDFMJWTXZIFTKIT-UBKPWBPPSA-N
XLogP2.87
TPSA102.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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

2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
2,4-dichloro-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 136661445
1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297
2,4-dichloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 136750620
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide
CID 6299939
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxy-3-nitrobenzamide
CID 126092170
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-5-carboxamide
CID 141480486
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2,4-dichlorobenzamide
CID 136904981
2,4-dichloro-N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]benzamide
CID 136783676
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 6162520
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135641867

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,3,4-trihydroxybenzamide?
The IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,3,4-trihydroxybenzamide (CID 71557223) is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,3,4-trihydroxybenzamide.
What is the SMILES notation for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,3,4-trihydroxybenzamide?
The canonical SMILES for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,3,4-trihydroxybenzamide is O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(O)c(O)c1O.
What is the InChIKey of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,3,4-trihydroxybenzamide?
The InChIKey is DFMJWTXZIFTKIT-UBKPWBPPSA-N. The full InChI is InChI=1S/C14H10Cl2N2O4/c15-8-2-1-7(10(16)5-8)6-17-18-14(22)9-3-4-11(19)13(21)12(9)20/h1-6,19-21H,(H,18,22)/b17-6+.
What are the key properties of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,3,4-trihydroxybenzamide?
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,3,4-trihydroxybenzamide has a molecular weight of 341.15 g/mol, XLogP of 2.87, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,3,4-trihydroxybenzamide is sourced from PubChem (CID 71557223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).