N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzamide

C15H14N2O3 — CID 135628281

IUPACN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/N=C/c2ccc(O)cc2O)cc1
InChIInChI=1S/C15H14N2O3/c1-10-2-4-11(5-3-10)15(20)17-16-9-12-6-7-13(18)8-14(12)19/h2-9,18-19H,1H3,(H,17,20)/b16-9+
InChIKeyBYKGCGILNOJMSI-CXUHLZMHSA-N
MW270.29 g/mol
LogP2.17
Rot. Bonds3

About N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzamide

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzamide (PubChem CID 135628281) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzamide
PubChem CID135628281
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/N=C/c2ccc(O)cc2O)cc1
InChIInChI=1S/C15H14N2O3/c1-10-2-4-11(5-3-10)15(20)17-16-9-12-6-7-13(18)8-14(12)19/h2-9,18-19H,1H3,(H,17,20)/b16-9+
InChIKeyBYKGCGILNOJMSI-CXUHLZMHSA-N
XLogP2.17
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]-4-methylbenzamide
CID 136863468
4-acetamido-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 689755
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136778476
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-ethylbenzamide
CID 135673755
N-[(2,4-dihydroxyphenyl)methylideneamino]-3-methyl-4-nitrobenzamide
CID 155679940
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-(1-methylcyclopropyl)benzamide
CID 137037301
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680
N-[(2-hydroxy-4-methylphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 1237230
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 135533865
2-chloro-N-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 136890963
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135529636

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzamide?
The IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzamide (CID 135628281) is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzamide.
What is the SMILES notation for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzamide?
The canonical SMILES for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzamide is Cc1ccc(C(=O)N/N=C/c2ccc(O)cc2O)cc1.
What is the InChIKey of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzamide?
The InChIKey is BYKGCGILNOJMSI-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-2-4-11(5-3-10)15(20)17-16-9-12-6-7-13(18)8-14(12)19/h2-9,18-19H,1H3,(H,17,20)/b16-9+.
What are the key properties of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzamide?
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzamide has a molecular weight of 270.29 g/mol, XLogP of 2.17, 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-dihydroxyphenyl)methylideneamino]-4-methylbenzamide is sourced from PubChem (CID 135628281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).