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

C17H16FN3O3 — CID 3462247

IUPACN-(4-fluorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1ccc(F)cc1)NN=Cc1ccc(O)cc1
InChIInChI=1S/C17H16FN3O3/c18-13-3-5-14(6-4-13)20-16(23)9-10-17(24)21-19-11-12-1-7-15(22)8-2-12/h1-8,11,22H,9-10H2,(H,20,23)(H,21,24)
InChIKeyWHKZYEUXJCTYGB-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.40
Rot. Bonds6

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

N-(4-fluorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide (PubChem CID 3462247) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide
PubChem CID3462247
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC NameN-(4-fluorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1ccc(F)cc1)NN=Cc1ccc(O)cc1
InChIInChI=1S/C17H16FN3O3/c18-13-3-5-14(6-4-13)20-16(23)9-10-17(24)21-19-11-12-1-7-15(22)8-2-12/h1-8,11,22H,9-10H2,(H,20,23)(H,21,24)
InChIKeyWHKZYEUXJCTYGB-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_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-(4-fluorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide?
The IUPAC name of N-(4-fluorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide (CID 3462247) is N-(4-fluorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-(4-fluorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide?
The canonical SMILES for N-(4-fluorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide is O=C(CCC(=O)Nc1ccc(F)cc1)NN=Cc1ccc(O)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide?
The InChIKey is WHKZYEUXJCTYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c18-13-3-5-14(6-4-13)20-16(23)9-10-17(24)21-19-11-12-1-7-15(22)8-2-12/h1-8,11,22H,9-10H2,(H,20,23)(H,21,24).
What are the key properties of N-(4-fluorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide?
N-(4-fluorophenyl)-N'-[(4-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'-[(4-hydroxyphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 3462247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).