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

C17H16F2N2O2 — CID 3046775

IUPAC4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanamide
SMILESNC(=O)CCC/N=C(\c1ccc(F)cc1)c1cc(F)ccc1O
InChIInChI=1S/C17H16F2N2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,22H,1-2,9H2,(H2,20,23)/b21-17+
InChIKeyKIJKXTLWFQPVDX-HEHNFIMWSA-N
MW318.32 g/mol
LogP2.77
Rot. Bonds6

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

4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanamide (PubChem CID 3046775) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is 4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanamide.

Molecular Properties

Compound Name4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanamide
PubChem CID3046775
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanamide
SMILESNC(=O)CCC/N=C(\c1ccc(F)cc1)c1cc(F)ccc1O
InChIInChI=1S/C17H16F2N2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,22H,1-2,9H2,(H2,20,23)/b21-17+
InChIKeyKIJKXTLWFQPVDX-HEHNFIMWSA-N
XLogP2.77
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.77
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)-(4-fluorophenyl)methylidene]amino]butanamide?
The IUPAC name of 4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanamide (CID 3046775) is 4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanamide.
What is the SMILES notation for 4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanamide?
The canonical SMILES for 4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanamide is NC(=O)CCC/N=C(\c1ccc(F)cc1)c1cc(F)ccc1O.
What is the InChIKey of 4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanamide?
The InChIKey is KIJKXTLWFQPVDX-HEHNFIMWSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,22H,1-2,9H2,(H2,20,23)/b21-17+.
What are the key properties of 4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanamide?
4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanamide has a molecular weight of 318.32 g/mol, XLogP of 2.77, 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)-(4-fluorophenyl)methylidene]amino]butanamide is sourced from PubChem (CID 3046775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).