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

C17H16FN3O3 — CID 135704400

IUPACN-(2-fluorophenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1ccccc1F)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C17H16FN3O3/c18-14-3-1-2-4-15(14)20-16(23)9-10-17(24)21-19-11-12-5-7-13(22)8-6-12/h1-8,11,22H,9-10H2,(H,20,23)(H,21,24)/b19-11+
InChIKeyWSVGHZYGTXFLOR-YBFXNURJSA-N
MW329.33 g/mol
LogP2.40
Rot. Bonds6

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

N-(2-fluorophenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]butanediamide (PubChem CID 135704400) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]butanediamide
PubChem CID135704400
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC NameN-(2-fluorophenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1ccccc1F)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C17H16FN3O3/c18-14-3-1-2-4-15(14)20-16(23)9-10-17(24)21-19-11-12-5-7-13(22)8-6-12/h1-8,11,22H,9-10H2,(H,20,23)(H,21,24)/b19-11+
InChIKeyWSVGHZYGTXFLOR-YBFXNURJSA-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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Related Compounds

N-(2-fluorophenyl)-N'-[(4-methylphenyl)methylideneamino]butanediamide
CID 3954724
N-(2-chlorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide
CID 3591287
N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide
CID 136704221
N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 135788644
N'-[(4-chlorophenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide
CID 3985918
N-(2-fluorophenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide
CID 3539008
N-(2-fluorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]butanediamide
CID 135684747
N-(2-fluorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
CID 3921496
4-hydroxy-N-[(Z)-(4-hydroxyphenyl)methylideneamino]butanamide
CID 136668789
N'-[(E)-benzylideneamino]-N-(2-hydroxyphenyl)heptanediamide
CID 23642529
N-[(4-hydroxyphenyl)methylideneamino]pentanamide
CID 4590132
N'-[(4-methylphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide
CID 5078091

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]butanediamide?
The IUPAC name of N-(2-fluorophenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]butanediamide (CID 135704400) is N-(2-fluorophenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-(2-fluorophenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]butanediamide?
The canonical SMILES for N-(2-fluorophenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]butanediamide is O=C(CCC(=O)Nc1ccccc1F)N/N=C/c1ccc(O)cc1.
What is the InChIKey of N-(2-fluorophenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]butanediamide?
The InChIKey is WSVGHZYGTXFLOR-YBFXNURJSA-N. The full InChI is InChI=1S/C17H16FN3O3/c18-14-3-1-2-4-15(14)20-16(23)9-10-17(24)21-19-11-12-5-7-13(22)8-6-12/h1-8,11,22H,9-10H2,(H,20,23)(H,21,24)/b19-11+.
What are the key properties of N-(2-fluorophenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]butanediamide?
N-(2-fluorophenyl)-N'-[(E)-(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-(2-fluorophenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 135704400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).