N-(4-fluorophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide

C17H16FN3O3 — CID 3766078

IUPACN-(4-fluorophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1ccc(F)cc1)NN=Cc1ccccc1O
InChIInChI=1S/C17H16FN3O3/c18-13-5-7-14(8-6-13)20-16(23)9-10-17(24)21-19-11-12-3-1-2-4-15(12)22/h1-8,11,22H,9-10H2,(H,20,23)(H,21,24)
InChIKeyAHGYABNGGBEPRY-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.40
Rot. Bonds6

About N-(4-fluorophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide

N-(4-fluorophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide (PubChem CID 3766078) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide
PubChem CID3766078
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC NameN-(4-fluorophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1ccc(F)cc1)NN=Cc1ccccc1O
InChIInChI=1S/C17H16FN3O3/c18-13-5-7-14(8-6-13)20-16(23)9-10-17(24)21-19-11-12-3-1-2-4-15(12)22/h1-8,11,22H,9-10H2,(H,20,23)(H,21,24)
InChIKeyAHGYABNGGBEPRY-UHFFFAOYSA-N
XLogP2.40
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.40
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-fluorophenyl)-N'-[(2-hydroxyphenyl)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

N-(4-bromophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide
CID 4530785
N-(4-fluorophenyl)-N'-[(2-propoxyphenyl)methylideneamino]butanediamide
CID 4542662
N-(4-bromophenyl)-N'-[(2-fluorophenyl)methylideneamino]butanediamide
CID 3450603
N-(4-fluorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]butanediamide
CID 135562382
N'-[(2-hydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide
CID 3656052
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
N'-[(2-fluorophenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
CID 4619789
N'-[(2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide
CID 5144173
N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
CID 136861998
N-(4-fluorophenyl)-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylideneacetamide
CID 136625821
N'-[(2-chlorophenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide
CID 3288979
4-anilino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide
CID 136794094

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide?
The IUPAC name of N-(4-fluorophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide (CID 3766078) is N-(4-fluorophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-(4-fluorophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide?
The canonical SMILES for N-(4-fluorophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide is O=C(CCC(=O)Nc1ccc(F)cc1)NN=Cc1ccccc1O.
What is the InChIKey of N-(4-fluorophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide?
The InChIKey is AHGYABNGGBEPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c18-13-5-7-14(8-6-13)20-16(23)9-10-17(24)21-19-11-12-3-1-2-4-15(12)22/h1-8,11,22H,9-10H2,(H,20,23)(H,21,24).
What are the key properties of N-(4-fluorophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide?
N-(4-fluorophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide has a molecular weight of 329.33 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 3766078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).