N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenoxy)acetamide

C17H14FN3O4 — CID 749840

IUPACN-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)/N=N/c2c(O)[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C17H14FN3O4/c1-24-11-3-5-12(6-4-11)25-9-15(22)20-21-16-13-8-10(18)2-7-14(13)19-17(16)23/h2-8,19,23H,9H2,1H3/b21-20+
InChIKeyPAHRLZJHBQSILG-QZQOTICOSA-N
MW343.31 g/mol
LogP3.71
Rot. Bonds5

About N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenoxy)acetamide

N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenoxy)acetamide (PubChem CID 749840) has the molecular formula C17H14FN3O4 and a molecular weight of 343.31 g/mol. Its IUPAC name is N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenoxy)acetamide
PubChem CID749840
Molecular FormulaC17H14FN3O4
Molecular Weight343.31 g/mol
Exact Mass343.10
IUPAC NameN-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)/N=N/c2c(O)[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C17H14FN3O4/c1-24-11-3-5-12(6-4-11)25-9-15(22)20-21-16-13-8-10(18)2-7-14(13)19-17(16)23/h2-8,19,23H,9H2,1H3/b21-20+
InChIKeyPAHRLZJHBQSILG-QZQOTICOSA-N
XLogP3.71
TPSA96.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenoxy)acetamide (CID 749840) is N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)/N=N/c2c(O)[nH]c3ccc(F)cc23)cc1.
What is the InChIKey of N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is PAHRLZJHBQSILG-QZQOTICOSA-N. The full InChI is InChI=1S/C17H14FN3O4/c1-24-11-3-5-12(6-4-11)25-9-15(22)20-21-16-13-8-10(18)2-7-14(13)19-17(16)23/h2-8,19,23H,9H2,1H3/b21-20+.
What are the key properties of N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenoxy)acetamide?
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 343.31 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 749840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).