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

C14H10Cl2N2O3 — CID 5332252

IUPACN-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(O)c(O)c1
InChIInChI=1S/C14H10Cl2N2O3/c15-10-3-1-9(11(16)6-10)7-17-18-14(21)8-2-4-12(19)13(20)5-8/h1-7,19-20H,(H,18,21)/b17-7+
InChIKeyISRFJSGSMHRMSJ-REZTVBANSA-N
MW325.15 g/mol
LogP3.17
Rot. Bonds3

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

N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide (PubChem CID 5332252) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide
PubChem CID5332252
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(O)c(O)c1
InChIInChI=1S/C14H10Cl2N2O3/c15-10-3-1-9(11(16)6-10)7-17-18-14(21)8-2-4-12(19)13(20)5-8/h1-7,19-20H,(H,18,21)/b17-7+
InChIKeyISRFJSGSMHRMSJ-REZTVBANSA-N
XLogP3.17
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide?
The IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide (CID 5332252) is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide.
What is the SMILES notation for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide?
The canonical SMILES for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide is O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(O)c(O)c1.
What is the InChIKey of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide?
The InChIKey is ISRFJSGSMHRMSJ-REZTVBANSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c15-10-3-1-9(11(16)6-10)7-17-18-14(21)8-2-4-12(19)13(20)5-8/h1-7,19-20H,(H,18,21)/b17-7+.
What are the key properties of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide?
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide has a molecular weight of 325.15 g/mol, XLogP of 3.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide is sourced from PubChem (CID 5332252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).