N-[(E)-(4-fluorophenyl)methylideneamino]-2-hydroxy-3-methoxybenzamide

C15H13FN2O3 — CID 24773718

IUPACN-[(E)-(4-fluorophenyl)methylideneamino]-2-hydroxy-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N/N=C/c2ccc(F)cc2)c1O
InChIInChI=1S/C15H13FN2O3/c1-21-13-4-2-3-12(14(13)19)15(20)18-17-9-10-5-7-11(16)8-6-10/h2-9,19H,1H3,(H,18,20)/b17-9+
InChIKeyTZIZIOUVUCRBRA-RQZCQDPDSA-N
MW288.28 g/mol
LogP2.30
Rot. Bonds4

About N-[(E)-(4-fluorophenyl)methylideneamino]-2-hydroxy-3-methoxybenzamide

N-[(E)-(4-fluorophenyl)methylideneamino]-2-hydroxy-3-methoxybenzamide (PubChem CID 24773718) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is N-[(E)-(4-fluorophenyl)methylideneamino]-2-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(4-fluorophenyl)methylideneamino]-2-hydroxy-3-methoxybenzamide
PubChem CID24773718
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC NameN-[(E)-(4-fluorophenyl)methylideneamino]-2-hydroxy-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N/N=C/c2ccc(F)cc2)c1O
InChIInChI=1S/C15H13FN2O3/c1-21-13-4-2-3-12(14(13)19)15(20)18-17-9-10-5-7-11(16)8-6-10/h2-9,19H,1H3,(H,18,20)/b17-9+
InChIKeyTZIZIOUVUCRBRA-RQZCQDPDSA-N
XLogP2.30
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071
5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-2-methoxybenzamide
CID 6894279
2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6861691
N-[(4-fluorophenyl)methylideneamino]-2-propan-2-yloxybenzamide
CID 5052209
methyl 4-[[(2-methoxybenzoyl)hydrazinylidene]methyl]benzoate
CID 3669406
N-[(Z)-(4-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide
CID 6260271
N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-methoxybenzamide
CID 137117330
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619
2-methoxy-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110505830
2-methoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6068795
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 2828053
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-fluorophenyl)methylideneamino]-2-hydroxy-3-methoxybenzamide?
The IUPAC name of N-[(E)-(4-fluorophenyl)methylideneamino]-2-hydroxy-3-methoxybenzamide (CID 24773718) is N-[(E)-(4-fluorophenyl)methylideneamino]-2-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-[(E)-(4-fluorophenyl)methylideneamino]-2-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-[(E)-(4-fluorophenyl)methylideneamino]-2-hydroxy-3-methoxybenzamide is COc1cccc(C(=O)N/N=C/c2ccc(F)cc2)c1O.
What is the InChIKey of N-[(E)-(4-fluorophenyl)methylideneamino]-2-hydroxy-3-methoxybenzamide?
The InChIKey is TZIZIOUVUCRBRA-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-21-13-4-2-3-12(14(13)19)15(20)18-17-9-10-5-7-11(16)8-6-10/h2-9,19H,1H3,(H,18,20)/b17-9+.
What are the key properties of N-[(E)-(4-fluorophenyl)methylideneamino]-2-hydroxy-3-methoxybenzamide?
N-[(E)-(4-fluorophenyl)methylideneamino]-2-hydroxy-3-methoxybenzamide has a molecular weight of 288.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-fluorophenyl)methylideneamino]-2-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 24773718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).