1-[2-(2-fluorophenoxy)acetyl]indole-3-carbohydrazide

C17H14FN3O3 — CID 99965957

IUPAC1-[2-(2-fluorophenoxy)acetyl]indole-3-carbohydrazide
SMILESNNC(=O)c1cn(C(=O)COc2ccccc2F)c2ccccc12
InChIInChI=1S/C17H14FN3O3/c18-13-6-2-4-8-15(13)24-10-16(22)21-9-12(17(23)20-19)11-5-1-3-7-14(11)21/h1-9H,10,19H2,(H,20,23)
InChIKeyWBUGXHZAZYKJMB-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.10
Rot. Bonds4

About 1-[2-(2-fluorophenoxy)acetyl]indole-3-carbohydrazide

1-[2-(2-fluorophenoxy)acetyl]indole-3-carbohydrazide (PubChem CID 99965957) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)acetyl]indole-3-carbohydrazide.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)acetyl]indole-3-carbohydrazide
PubChem CID99965957
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC Name1-[2-(2-fluorophenoxy)acetyl]indole-3-carbohydrazide
SMILESNNC(=O)c1cn(C(=O)COc2ccccc2F)c2ccccc12
InChIInChI=1S/C17H14FN3O3/c18-13-6-2-4-8-15(13)24-10-16(22)21-9-12(17(23)20-19)11-5-1-3-7-14(11)21/h1-9H,10,19H2,(H,20,23)
InChIKeyWBUGXHZAZYKJMB-UHFFFAOYSA-N
XLogP2.10
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-fluorophenoxy)acetyl]indole-3-carboxamide
CID 99965961
1-(2-fluorobenzoyl)indole-3-carbohydrazide
CID 91690349
1-propanoylindole-3-carbohydrazide
CID 91690174
methyl 1-[2-(2-methylphenoxy)acetyl]indole-3-carboxylate
CID 703715
1-[2-(2,3-dimethylphenoxy)acetyl]indole-3-carboxylic acid
CID 99965438
methyl 1-(2-phenoxyacetyl)indole-3-carboxylate
CID 4039555
1-[2-(2-fluorophenoxy)acetyl]-2-methylindole-3-carboxamide
CID 99965963
1-(3-methoxybenzoyl)indole-3-carbohydrazide
CID 91690599
2-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-2-oxoacetamide
CID 3161660
methyl 1-[2-(4-bromophenoxy)acetyl]indole-3-carboxylate
CID 1370349
1-(benzotriazol-1-yl)-2-(2-fluorophenoxy)ethanone
CID 751346
1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbohydrazide
CID 100817354

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)acetyl]indole-3-carbohydrazide?
The IUPAC name of 1-[2-(2-fluorophenoxy)acetyl]indole-3-carbohydrazide (CID 99965957) is 1-[2-(2-fluorophenoxy)acetyl]indole-3-carbohydrazide.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)acetyl]indole-3-carbohydrazide?
The canonical SMILES for 1-[2-(2-fluorophenoxy)acetyl]indole-3-carbohydrazide is NNC(=O)c1cn(C(=O)COc2ccccc2F)c2ccccc12.
What is the InChIKey of 1-[2-(2-fluorophenoxy)acetyl]indole-3-carbohydrazide?
The InChIKey is WBUGXHZAZYKJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c18-13-6-2-4-8-15(13)24-10-16(22)21-9-12(17(23)20-19)11-5-1-3-7-14(11)21/h1-9H,10,19H2,(H,20,23).
What are the key properties of 1-[2-(2-fluorophenoxy)acetyl]indole-3-carbohydrazide?
1-[2-(2-fluorophenoxy)acetyl]indole-3-carbohydrazide has a molecular weight of 327.32 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenoxy)acetyl]indole-3-carbohydrazide is sourced from PubChem (CID 99965957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).