N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3,4,5-trihydroxybenzamide

C15H13FN2O4 — CID 6089848

IUPACN-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3,4,5-trihydroxybenzamide
SMILESC/C(=N/NC(=O)c1cc(O)c(O)c(O)c1)c1ccc(F)cc1
InChIInChI=1S/C15H13FN2O4/c1-8(9-2-4-11(16)5-3-9)17-18-15(22)10-6-12(19)14(21)13(20)7-10/h2-7,19-21H,1H3,(H,18,22)/b17-8-
InChIKeyZMNZNRIRWRLBAI-IUXPMGMMSA-N
MW304.28 g/mol
LogP2.10
Rot. Bonds3

About N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3,4,5-trihydroxybenzamide

N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3,4,5-trihydroxybenzamide (PubChem CID 6089848) has the molecular formula C15H13FN2O4 and a molecular weight of 304.28 g/mol. Its IUPAC name is N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3,4,5-trihydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3,4,5-trihydroxybenzamide
PubChem CID6089848
Molecular FormulaC15H13FN2O4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC NameN-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3,4,5-trihydroxybenzamide
SMILESC/C(=N/NC(=O)c1cc(O)c(O)c(O)c1)c1ccc(F)cc1
InChIInChI=1S/C15H13FN2O4/c1-8(9-2-4-11(16)5-3-9)17-18-15(22)10-6-12(19)14(21)13(20)7-10/h2-7,19-21H,1H3,(H,18,22)/b17-8-
InChIKeyZMNZNRIRWRLBAI-IUXPMGMMSA-N
XLogP2.10
TPSA102.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3,4,5-trihydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,5-trihydroxy-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 5009394
5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-hydroxybenzamide
CID 3386192
3,4,5-trihydroxy-N-(1-pyridin-4-ylethylideneamino)benzamide
CID 903912
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-3,4,5-trihydroxybenzamide
CID 3465432
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 6022107
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide
CID 6183873
4-fluoro-N-(propan-2-ylideneamino)benzamide
CID 847533
N-[1-(4-fluorophenyl)ethylideneamino]-4-propan-2-ylbenzamide
CID 5112847
N-[4-[C-methyl-N-[(3,4,5-trihydroxybenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide
CID 3654494
3,4,5-trihydroxy-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 6029877
3,5-dihydroxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 5406605
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3,4,5-trihydroxybenzamide?
The IUPAC name of N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3,4,5-trihydroxybenzamide (CID 6089848) is N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3,4,5-trihydroxybenzamide.
What is the SMILES notation for N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3,4,5-trihydroxybenzamide?
The canonical SMILES for N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3,4,5-trihydroxybenzamide is C/C(=N/NC(=O)c1cc(O)c(O)c(O)c1)c1ccc(F)cc1.
What is the InChIKey of N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3,4,5-trihydroxybenzamide?
The InChIKey is ZMNZNRIRWRLBAI-IUXPMGMMSA-N. The full InChI is InChI=1S/C15H13FN2O4/c1-8(9-2-4-11(16)5-3-9)17-18-15(22)10-6-12(19)14(21)13(20)7-10/h2-7,19-21H,1H3,(H,18,22)/b17-8-.
What are the key properties of N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3,4,5-trihydroxybenzamide?
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3,4,5-trihydroxybenzamide has a molecular weight of 304.28 g/mol, XLogP of 2.10, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3,4,5-trihydroxybenzamide is sourced from PubChem (CID 6089848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).