N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-3-methylbenzamide

C15H14N2O3 — CID 135546379

IUPACN-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-3-methylbenzamide
SMILESCc1cccc(C(=O)N/N=C/c2cc(O)ccc2O)c1
InChIInChI=1S/C15H14N2O3/c1-10-3-2-4-11(7-10)15(20)17-16-9-12-8-13(18)5-6-14(12)19/h2-9,18-19H,1H3,(H,17,20)/b16-9+
InChIKeyNLMLMOFOODRKRE-CXUHLZMHSA-N
MW270.29 g/mol
LogP2.17
Rot. Bonds3

About N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-3-methylbenzamide

N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-3-methylbenzamide (PubChem CID 135546379) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-3-methylbenzamide
PubChem CID135546379
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-3-methylbenzamide
SMILESCc1cccc(C(=O)N/N=C/c2cc(O)ccc2O)c1
InChIInChI=1S/C15H14N2O3/c1-10-3-2-4-11(7-10)15(20)17-16-9-12-8-13(18)5-6-14(12)19/h2-9,18-19H,1H3,(H,17,20)/b16-9+
InChIKeyNLMLMOFOODRKRE-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': 'hydroquinone', '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-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 913575
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 136628097
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 136852017
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 135400409
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
CID 135406892
3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
N-[4-[[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3-methylbenzamide
CID 135560215
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 135546449
N-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 3354165
3-hydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-5-methylbenzamide
CID 172933707
3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407507
4-chloro-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
CID 135688213

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-3-methylbenzamide?
The IUPAC name of N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-3-methylbenzamide (CID 135546379) is N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-3-methylbenzamide.
What is the SMILES notation for N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-3-methylbenzamide?
The canonical SMILES for N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-3-methylbenzamide is Cc1cccc(C(=O)N/N=C/c2cc(O)ccc2O)c1.
What is the InChIKey of N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-3-methylbenzamide?
The InChIKey is NLMLMOFOODRKRE-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-3-2-4-11(7-10)15(20)17-16-9-12-8-13(18)5-6-14(12)19/h2-9,18-19H,1H3,(H,17,20)/b16-9+.
What are the key properties of N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-3-methylbenzamide?
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-3-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)-(2,5-dihydroxyphenyl)methylideneamino]-3-methylbenzamide is sourced from PubChem (CID 135546379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).