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

C14H10Cl2N2O3 — CID 764265

IUPACN-[(2,3-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide
SMILESO=C(NN=Cc1cccc(Cl)c1Cl)c1ccc(O)c(O)c1
InChIInChI=1S/C14H10Cl2N2O3/c15-10-3-1-2-9(13(10)16)7-17-18-14(21)8-4-5-11(19)12(20)6-8/h1-7,19-20H,(H,18,21)
InChIKeyMZESTJYKBIDGMZ-UHFFFAOYSA-N
MW325.15 g/mol
LogP3.17
Rot. Bonds3

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

N-[(2,3-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide (PubChem CID 764265) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide
PubChem CID764265
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC NameN-[(2,3-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide
SMILESO=C(NN=Cc1cccc(Cl)c1Cl)c1ccc(O)c(O)c1
InChIInChI=1S/C14H10Cl2N2O3/c15-10-3-1-2-9(13(10)16)7-17-18-14(21)8-4-5-11(19)12(20)6-8/h1-7,19-20H,(H,18,21)
InChIKeyMZESTJYKBIDGMZ-UHFFFAOYSA-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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Related Compounds

3-chloro-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]benzamide
CID 5407459
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide
CID 5333191
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6018421
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-propan-2-ylbenzamide
CID 6874265
3,4-dihydroxy-N-[(2-methylphenyl)methylideneamino]benzamide
CID 794492
4-chloro-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-hydroxybenzamide
CID 5333194
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 6117439
3,4-dihydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135442286
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 6294643
3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 780461
2-benzyl-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526681
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110510740

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide?
The IUPAC name of N-[(2,3-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide (CID 764265) is N-[(2,3-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide is O=C(NN=Cc1cccc(Cl)c1Cl)c1ccc(O)c(O)c1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide?
The InChIKey is MZESTJYKBIDGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c15-10-3-1-2-9(13(10)16)7-17-18-14(21)8-4-5-11(19)12(20)6-8/h1-7,19-20H,(H,18,21).
What are the key properties of N-[(2,3-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide?
N-[(2,3-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-[(2,3-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide is sourced from PubChem (CID 764265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).