N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-fluorobenzamide

C14H11FN2O3 — CID 135504485

IUPACN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-fluorobenzamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)c1cccc(F)c1
InChIInChI=1S/C14H11FN2O3/c15-11-3-1-2-9(6-11)14(20)17-16-8-10-4-5-12(18)7-13(10)19/h1-8,18-19H,(H,17,20)/b16-8+
InChIKeyKJBNYMXQIMPKJY-LZYBPNLTSA-N
MW274.25 g/mol
LogP2.00
Rot. Bonds3

About N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-fluorobenzamide

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-fluorobenzamide (PubChem CID 135504485) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-fluorobenzamide
PubChem CID135504485
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-fluorobenzamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)c1cccc(F)c1
InChIInChI=1S/C14H11FN2O3/c15-11-3-1-2-9(6-11)14(20)17-16-8-10-4-5-12(18)7-13(10)19/h1-8,18-19H,(H,17,20)/b16-8+
InChIKeyKJBNYMXQIMPKJY-LZYBPNLTSA-N
XLogP2.00
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.00
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-fluorobenzamide?
The IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-fluorobenzamide (CID 135504485) is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-fluorobenzamide.
What is the SMILES notation for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-fluorobenzamide?
The canonical SMILES for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-fluorobenzamide is O=C(N/N=C/c1ccc(O)cc1O)c1cccc(F)c1.
What is the InChIKey of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-fluorobenzamide?
The InChIKey is KJBNYMXQIMPKJY-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H11FN2O3/c15-11-3-1-2-9(6-11)14(20)17-16-8-10-4-5-12(18)7-13(10)19/h1-8,18-19H,(H,17,20)/b16-8+.
What are the key properties of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-fluorobenzamide?
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-fluorobenzamide has a molecular weight of 274.25 g/mol, XLogP of 2.00, 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]-3-fluorobenzamide is sourced from PubChem (CID 135504485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).