4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]butanamide

C17H17FN2O2 — CID 3046776

IUPAC4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]butanamide
SMILESNC(=O)CCC/N=C(\c1ccccc1)c1cc(F)ccc1O
InChIInChI=1S/C17H17FN2O2/c18-13-8-9-15(21)14(11-13)17(12-5-2-1-3-6-12)20-10-4-7-16(19)22/h1-3,5-6,8-9,11,21H,4,7,10H2,(H2,19,22)/b20-17+
InChIKeyJSGXBFVLQQNTLA-LVZFUZTISA-N
MW300.33 g/mol
LogP2.63
Rot. Bonds6

About 4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]butanamide

4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]butanamide (PubChem CID 3046776) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]butanamide.

Molecular Properties

Compound Name4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]butanamide
PubChem CID3046776
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]butanamide
SMILESNC(=O)CCC/N=C(\c1ccccc1)c1cc(F)ccc1O
InChIInChI=1S/C17H17FN2O2/c18-13-8-9-15(21)14(11-13)17(12-5-2-1-3-6-12)20-10-4-7-16(19)22/h1-3,5-6,8-9,11,21H,4,7,10H2,(H2,19,22)/b20-17+
InChIKeyJSGXBFVLQQNTLA-LVZFUZTISA-N
XLogP2.63
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]butanamide?
The IUPAC name of 4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]butanamide (CID 3046776) is 4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]butanamide.
What is the SMILES notation for 4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]butanamide?
The canonical SMILES for 4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]butanamide is NC(=O)CCC/N=C(\c1ccccc1)c1cc(F)ccc1O.
What is the InChIKey of 4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]butanamide?
The InChIKey is JSGXBFVLQQNTLA-LVZFUZTISA-N. The full InChI is InChI=1S/C17H17FN2O2/c18-13-8-9-15(21)14(11-13)17(12-5-2-1-3-6-12)20-10-4-7-16(19)22/h1-3,5-6,8-9,11,21H,4,7,10H2,(H2,19,22)/b20-17+.
What are the key properties of 4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]butanamide?
4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]butanamide has a molecular weight of 300.33 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]butanamide is sourced from PubChem (CID 3046776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).