N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide

C15H14N2O4 — CID 708171

IUPACN-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
SMILESCC(=NNC(=O)c1ccccc1O)c1ccc(O)cc1O
InChIInChI=1S/C15H14N2O4/c1-9(11-7-6-10(18)8-14(11)20)16-17-15(21)12-4-2-3-5-13(12)19/h2-8,18-20H,1H3,(H,17,21)
InChIKeyFKDCAYSFERCSDU-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.96
Rot. Bonds3

About N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide

N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide (PubChem CID 708171) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
PubChem CID708171
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
SMILESCC(=NNC(=O)c1ccccc1O)c1ccc(O)cc1O
InChIInChI=1S/C15H14N2O4/c1-9(11-7-6-10(18)8-14(11)20)16-17-15(21)12-4-2-3-5-13(12)19/h2-8,18-20H,1H3,(H,17,21)
InChIKeyFKDCAYSFERCSDU-UHFFFAOYSA-N
XLogP1.96
TPSA102.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.96
H-Bond Donors ≤ 54
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

N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 135554989
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
2-amino-N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide
CID 137150949
2,4-dihydroxy-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 872905
N-[1-(2,4-dichlorophenyl)ethylideneamino]-2,4-dihydroxybenzamide
CID 3626855
2,4-dichloro-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide
CID 135688205
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]furan-2-carboxamide
CID 135644319
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135635825
1-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-phenylurea
CID 135643114
1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide
CID 135656933
2-hydroxy-N-[1-[4-[N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]-7,8-dimethylphenazin-1-yl]ethylideneamino]benzamide
CID 6711660

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide (CID 708171) is N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide is CC(=NNC(=O)c1ccccc1O)c1ccc(O)cc1O.
What is the InChIKey of N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide?
The InChIKey is FKDCAYSFERCSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-9(11-7-6-10(18)8-14(11)20)16-17-15(21)12-4-2-3-5-13(12)19/h2-8,18-20H,1H3,(H,17,21).
What are the key properties of N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide?
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide has a molecular weight of 286.29 g/mol, XLogP of 1.96, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 708171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).