N-(4-fluorophenyl)-N'-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]butanediamide

C20H20FN3O3 — CID 135517031

IUPACN-(4-fluorophenyl)-N'-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]butanediamide
SMILESC=CCc1cccc(/C=N/NC(=O)CCC(=O)Nc2ccc(F)cc2)c1O
InChIInChI=1S/C20H20FN3O3/c1-2-4-14-5-3-6-15(20(14)27)13-22-24-19(26)12-11-18(25)23-17-9-7-16(21)8-10-17/h2-3,5-10,13,27H,1,4,11-12H2,(H,23,25)(H,24,26)/b22-13+
InChIKeyJVRRHYBNELEXSM-LPYMAVHISA-N
MW369.40 g/mol
LogP3.13
Rot. Bonds8

About N-(4-fluorophenyl)-N'-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]butanediamide

N-(4-fluorophenyl)-N'-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]butanediamide (PubChem CID 135517031) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N'-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N'-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]butanediamide
PubChem CID135517031
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC NameN-(4-fluorophenyl)-N'-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]butanediamide
SMILESC=CCc1cccc(/C=N/NC(=O)CCC(=O)Nc2ccc(F)cc2)c1O
InChIInChI=1S/C20H20FN3O3/c1-2-4-14-5-3-6-15(20(14)27)13-22-24-19(26)12-11-18(25)23-17-9-7-16(21)8-10-17/h2-3,5-10,13,27H,1,4,11-12H2,(H,23,25)(H,24,26)/b22-13+
InChIKeyJVRRHYBNELEXSM-LPYMAVHISA-N
XLogP3.13
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-fluorophenyl)-N'-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]butanediamide 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

2-(2-(3-Allyl-2-hydroxybenzylidene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135433321
1-(4-fluorophenyl)-N'-(2-hydroxybenzylidene)-5-oxo-3-pyrrolidinecarbohydrazide
CID 135536624
4-[(2E)-2-(2,4-dihydroxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135620064
4-[(2E)-2-(2-hydroxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135683576
N-(4-Fluorophenyl)-3-{N'-[(E)-(4-hydroxyphenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135625972
2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-N-(2-methylphenyl)-2-oxoacetamide
CID 135419636
N'-(3-allyl-2-hydroxybenzylidene)-2-(4-toluidino)propanohydrazide
CID 135401434
N-benzyl-4-{2-[4-(diethylamino)-2-hydroxybenzylidene]hydrazino}-4-oxobutanamide
CID 135401468
3-{N'-[(E)-(2,4-Dihydroxyphenyl)methylidene]hydrazinecarbonyl}-N-(4-fluorophenyl)propanamide
CID 135421766
N'-(3-allyl-2-hydroxybenzylidene)-4-[(4-methylphenyl)amino]butanohydrazide
CID 135425036
N-(4-Fluorophenyl)-3-{N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135439747
N'-[(1E)-(3-allyl-2-hydroxyphenyl)methylene]-2-[(3-methylphenyl)amino]propanohydrazide
CID 135439753

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N'-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]butanediamide?
The IUPAC name of N-(4-fluorophenyl)-N'-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]butanediamide (CID 135517031) is N-(4-fluorophenyl)-N'-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-(4-fluorophenyl)-N'-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]butanediamide?
The canonical SMILES for N-(4-fluorophenyl)-N'-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]butanediamide is C=CCc1cccc(/C=N/NC(=O)CCC(=O)Nc2ccc(F)cc2)c1O.
What is the InChIKey of N-(4-fluorophenyl)-N'-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]butanediamide?
The InChIKey is JVRRHYBNELEXSM-LPYMAVHISA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-2-4-14-5-3-6-15(20(14)27)13-22-24-19(26)12-11-18(25)23-17-9-7-16(21)8-10-17/h2-3,5-10,13,27H,1,4,11-12H2,(H,23,25)(H,24,26)/b22-13+.
What are the key properties of N-(4-fluorophenyl)-N'-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]butanediamide?
N-(4-fluorophenyl)-N'-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]butanediamide has a molecular weight of 369.40 g/mol, XLogP of 3.13, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N'-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 135517031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).