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

C15H14N2O4 — CID 136778476

IUPACN-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C\c2ccc(O)cc2O)cc1
InChIInChI=1S/C15H14N2O4/c1-21-13-6-3-10(4-7-13)15(20)17-16-9-11-2-5-12(18)8-14(11)19/h2-9,18-19H,1H3,(H,17,20)/b16-9-
InChIKeyLQWNIBQWZAKSHT-SXGWCWSVSA-N
MW286.29 g/mol
LogP1.87
Rot. Bonds4

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

N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide (PubChem CID 136778476) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
PubChem CID136778476
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C\c2ccc(O)cc2O)cc1
InChIInChI=1S/C15H14N2O4/c1-21-13-6-3-10(4-7-13)15(20)17-16-9-11-2-5-12(18)8-14(11)19/h2-9,18-19H,1H3,(H,17,20)/b16-9-
InChIKeyLQWNIBQWZAKSHT-SXGWCWSVSA-N
XLogP1.87
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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

4-tert-butyl-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 135613078
N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide
CID 137072479
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 135628281
N-[(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 584655
4-acetamido-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 689755
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-ethylbenzamide
CID 135673755
N-[(2,5-dimethoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 4193667
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
CID 767055
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5418227
N-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]-4-methylbenzamide
CID 136863468
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 136720676
2-hydroxy-N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 135883025

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide?
The IUPAC name of N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide (CID 136778476) is N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide.
What is the SMILES notation for N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide?
The canonical SMILES for N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide is COc1ccc(C(=O)N/N=C\c2ccc(O)cc2O)cc1.
What is the InChIKey of N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide?
The InChIKey is LQWNIBQWZAKSHT-SXGWCWSVSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-21-13-6-3-10(4-7-13)15(20)17-16-9-11-2-5-12(18)8-14(11)19/h2-9,18-19H,1H3,(H,17,20)/b16-9-.
What are the key properties of N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide?
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide has a molecular weight of 286.29 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide is sourced from PubChem (CID 136778476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).