N-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide

C17H17N3O4 — CID 3354165

IUPACN-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)NN=Cc2ccc(O)cc2O)c1
InChIInChI=1S/C17H17N3O4/c1-11-3-2-4-12(7-11)17(24)18-10-16(23)20-19-9-13-5-6-14(21)8-15(13)22/h2-9,21-22H,10H2,1H3,(H,18,24)(H,20,23)
InChIKeyYQKCAFZJNJSJPY-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.29
Rot. Bonds5

About N-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide

N-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide (PubChem CID 3354165) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
PubChem CID3354165
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)NN=Cc2ccc(O)cc2O)c1
InChIInChI=1S/C17H17N3O4/c1-11-3-2-4-12(7-11)17(24)18-10-16(23)20-19-9-13-5-6-14(21)8-15(13)22/h2-9,21-22H,10H2,1H3,(H,18,24)(H,20,23)
InChIKeyYQKCAFZJNJSJPY-UHFFFAOYSA-N
XLogP1.29
TPSA111.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.29
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-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135644980
N-[2-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 136732643
3-fluoro-N-[2-[(2E)-2-[(2-hydroxy-4-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 171980626
N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 4188604
N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 135616123
N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 135615922
N-[2-[(2Z)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 6105640
N-[2-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 136758798
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 135546379
N-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 137054711
4-butoxy-N-[2-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 136822699
N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 135795104

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide (CID 3354165) is N-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC(=O)NN=Cc2ccc(O)cc2O)c1.
What is the InChIKey of N-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide?
The InChIKey is YQKCAFZJNJSJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-11-3-2-4-12(7-11)17(24)18-10-16(23)20-19-9-13-5-6-14(21)8-15(13)22/h2-9,21-22H,10H2,1H3,(H,18,24)(H,20,23).
What are the key properties of N-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide?
N-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide has a molecular weight of 327.34 g/mol, XLogP of 1.29, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 3354165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).