N-[2-[(2E)-2-[(2,4-dihydroxy-6-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide

C17H16FN3O4 — CID 135685403

IUPACN-[2-[(2E)-2-[(2,4-dihydroxy-6-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide
SMILESCc1cc(O)cc(O)c1/C=N/NC(=O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C17H16FN3O4/c1-10-5-13(22)7-15(23)14(10)8-20-21-16(24)9-19-17(25)11-3-2-4-12(18)6-11/h2-8,22-23H,9H2,1H3,(H,19,25)(H,21,24)/b20-8+
InChIKeyRIGLDVXMZFJJTO-DNTJNYDQSA-N
MW345.33 g/mol
LogP1.43
Rot. Bonds5

About N-[2-[(2E)-2-[(2,4-dihydroxy-6-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide

N-[2-[(2E)-2-[(2,4-dihydroxy-6-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide (PubChem CID 135685403) has the molecular formula C17H16FN3O4 and a molecular weight of 345.33 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(2,4-dihydroxy-6-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(2,4-dihydroxy-6-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide
PubChem CID135685403
Molecular FormulaC17H16FN3O4
Molecular Weight345.33 g/mol
Exact Mass345.11
IUPAC NameN-[2-[(2E)-2-[(2,4-dihydroxy-6-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide
SMILESCc1cc(O)cc(O)c1/C=N/NC(=O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C17H16FN3O4/c1-10-5-13(22)7-15(23)14(10)8-20-21-16(24)9-19-17(25)11-3-2-4-12(18)6-11/h2-8,22-23H,9H2,1H3,(H,19,25)(H,21,24)/b20-8+
InChIKeyRIGLDVXMZFJJTO-DNTJNYDQSA-N
XLogP1.43
TPSA111.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 51.43
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

3-fluoro-N-[2-[(2E)-2-[(2-hydroxy-4-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 171980626
N-[2-[(2E)-2-[(5-bromo-2-hydroxy-3-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide
CID 135419454
N-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 3354165
3-fluoro-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
CID 5333730
3-fluoro-N-[2-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4195125
N-[(E)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-phenylacetamide
CID 135578491
N-[2-oxo-2-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 6884306
N-[2-[(2Z)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide
CID 136909142
N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 135616123
N-[2-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 136732643
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]-2-fluorobenzamide
CID 136758798

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(2,4-dihydroxy-6-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[(2E)-2-[(2,4-dihydroxy-6-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide (CID 135685403) is N-[2-[(2E)-2-[(2,4-dihydroxy-6-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[(2E)-2-[(2,4-dihydroxy-6-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[(2E)-2-[(2,4-dihydroxy-6-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide is Cc1cc(O)cc(O)c1/C=N/NC(=O)CNC(=O)c1cccc(F)c1.
What is the InChIKey of N-[2-[(2E)-2-[(2,4-dihydroxy-6-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide?
The InChIKey is RIGLDVXMZFJJTO-DNTJNYDQSA-N. The full InChI is InChI=1S/C17H16FN3O4/c1-10-5-13(22)7-15(23)14(10)8-20-21-16(24)9-19-17(25)11-3-2-4-12(18)6-11/h2-8,22-23H,9H2,1H3,(H,19,25)(H,21,24)/b20-8+.
What are the key properties of N-[2-[(2E)-2-[(2,4-dihydroxy-6-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide?
N-[2-[(2E)-2-[(2,4-dihydroxy-6-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide has a molecular weight of 345.33 g/mol, XLogP of 1.43, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[(2,4-dihydroxy-6-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide is sourced from PubChem (CID 135685403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).