1-[2-(4-chloro-2-fluorophenoxy)ethyl]-N-hydroxyindole-6-carboxamide

C17H14ClFN2O3 — CID 87266182

IUPAC1-[2-(4-chloro-2-fluorophenoxy)ethyl]-N-hydroxyindole-6-carboxamide
SMILESO=C(NO)c1ccc2ccn(CCOc3ccc(Cl)cc3F)c2c1
InChIInChI=1S/C17H14ClFN2O3/c18-13-3-4-16(14(19)10-13)24-8-7-21-6-5-11-1-2-12(9-15(11)21)17(22)20-23/h1-6,9-10,23H,7-8H2,(H,20,22)
InChIKeyUROFWIJKCKMBOQ-UHFFFAOYSA-N
MW348.76 g/mol
LogP3.63
Rot. Bonds5

About 1-[2-(4-chloro-2-fluorophenoxy)ethyl]-N-hydroxyindole-6-carboxamide

1-[2-(4-chloro-2-fluorophenoxy)ethyl]-N-hydroxyindole-6-carboxamide (PubChem CID 87266182) has the molecular formula C17H14ClFN2O3 and a molecular weight of 348.76 g/mol. Its IUPAC name is 1-[2-(4-chloro-2-fluorophenoxy)ethyl]-N-hydroxyindole-6-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chloro-2-fluorophenoxy)ethyl]-N-hydroxyindole-6-carboxamide
PubChem CID87266182
Molecular FormulaC17H14ClFN2O3
Molecular Weight348.76 g/mol
Exact Mass348.07
IUPAC Name1-[2-(4-chloro-2-fluorophenoxy)ethyl]-N-hydroxyindole-6-carboxamide
SMILESO=C(NO)c1ccc2ccn(CCOc3ccc(Cl)cc3F)c2c1
InChIInChI=1S/C17H14ClFN2O3/c18-13-3-4-16(14(19)10-13)24-8-7-21-6-5-11-1-2-12(9-15(11)21)17(22)20-23/h1-6,9-10,23H,7-8H2,(H,20,22)
InChIKeyUROFWIJKCKMBOQ-UHFFFAOYSA-N
XLogP3.63
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.76
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-fluorophenoxy)ethyl]indole-6-carboxylic acid
CID 58213856
N-hydroxy-1-[[4-(hydroxycarbamoyl)phenyl]methyl]indole-6-carboxamide
CID 146035570
methyl 1-[2-(4-fluorophenoxy)ethyl]indole-6-carboxylate
CID 5191010
6-chloro-1-[2-(2-methoxyphenoxy)ethyl]indole
CID 116620601
2-[2-(6-chloroindol-1-yl)ethoxy]ethanol
CID 116620626
N-hydroxy-1-[(6-methoxy-3-pyridinyl)methyl]indole-6-carboxamide
CID 45276554
1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carboxylic acid
CID 103047013
methyl 1-[2-(4-chloro-3-methylphenoxy)ethyl]indole-6-carboxylate
CID 4985597
[4-[[6-(hydroxycarbamoyl)indol-1-yl]methyl]phenyl] cyanate
CID 156547425
6-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole
CID 116620454
5-(6-chloroindol-1-yl)pentan-2-one
CID 62023769
N-hydroxy-1-[(2-sulfanylphenyl)methyl]indole-6-carboxamide
CID 90714673

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-2-fluorophenoxy)ethyl]-N-hydroxyindole-6-carboxamide?
The IUPAC name of 1-[2-(4-chloro-2-fluorophenoxy)ethyl]-N-hydroxyindole-6-carboxamide (CID 87266182) is 1-[2-(4-chloro-2-fluorophenoxy)ethyl]-N-hydroxyindole-6-carboxamide.
What is the SMILES notation for 1-[2-(4-chloro-2-fluorophenoxy)ethyl]-N-hydroxyindole-6-carboxamide?
The canonical SMILES for 1-[2-(4-chloro-2-fluorophenoxy)ethyl]-N-hydroxyindole-6-carboxamide is O=C(NO)c1ccc2ccn(CCOc3ccc(Cl)cc3F)c2c1.
What is the InChIKey of 1-[2-(4-chloro-2-fluorophenoxy)ethyl]-N-hydroxyindole-6-carboxamide?
The InChIKey is UROFWIJKCKMBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O3/c18-13-3-4-16(14(19)10-13)24-8-7-21-6-5-11-1-2-12(9-15(11)21)17(22)20-23/h1-6,9-10,23H,7-8H2,(H,20,22).
What are the key properties of 1-[2-(4-chloro-2-fluorophenoxy)ethyl]-N-hydroxyindole-6-carboxamide?
1-[2-(4-chloro-2-fluorophenoxy)ethyl]-N-hydroxyindole-6-carboxamide has a molecular weight of 348.76 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-2-fluorophenoxy)ethyl]-N-hydroxyindole-6-carboxamide is sourced from PubChem (CID 87266182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).