4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]pentanoic acid

C18H17ClFNO3 — CID 3025647

IUPAC4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]pentanoic acid
SMILESCC(CCC(=O)O)/N=C(\c1ccc(Cl)cc1)c1cc(F)ccc1O
InChIInChI=1S/C18H17ClFNO3/c1-11(2-9-17(23)24)21-18(12-3-5-13(19)6-4-12)15-10-14(20)7-8-16(15)22/h3-8,10-11,22H,2,9H2,1H3,(H,23,24)/b21-18+
InChIKeyYYLYMTSWIFAIQN-DYTRJAOYSA-N
MW349.79 g/mol
LogP4.28
Rot. Bonds6

About 4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]pentanoic acid

4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]pentanoic acid (PubChem CID 3025647) has the molecular formula C18H17ClFNO3 and a molecular weight of 349.79 g/mol. Its IUPAC name is 4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]pentanoic acid.

Molecular Properties

Compound Name4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]pentanoic acid
PubChem CID3025647
Molecular FormulaC18H17ClFNO3
Molecular Weight349.79 g/mol
Exact Mass349.09
IUPAC Name4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]pentanoic acid
SMILESCC(CCC(=O)O)/N=C(\c1ccc(Cl)cc1)c1cc(F)ccc1O
InChIInChI=1S/C18H17ClFNO3/c1-11(2-9-17(23)24)21-18(12-3-5-13(19)6-4-12)15-10-14(20)7-8-16(15)22/h3-8,10-11,22H,2,9H2,1H3,(H,23,24)/b21-18+
InChIKeyYYLYMTSWIFAIQN-DYTRJAOYSA-N
XLogP4.28
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]pentanoic acid?
The IUPAC name of 4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]pentanoic acid (CID 3025647) is 4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]pentanoic acid.
What is the SMILES notation for 4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]pentanoic acid?
The canonical SMILES for 4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]pentanoic acid is CC(CCC(=O)O)/N=C(\c1ccc(Cl)cc1)c1cc(F)ccc1O.
What is the InChIKey of 4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]pentanoic acid?
The InChIKey is YYLYMTSWIFAIQN-DYTRJAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO3/c1-11(2-9-17(23)24)21-18(12-3-5-13(19)6-4-12)15-10-14(20)7-8-16(15)22/h3-8,10-11,22H,2,9H2,1H3,(H,23,24)/b21-18+.
What are the key properties of 4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]pentanoic acid?
4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]pentanoic acid has a molecular weight of 349.79 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]pentanoic acid is sourced from PubChem (CID 3025647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).