2-[(3-fluorophenyl)methyl]-N-hydroxy-1H-indole-6-carboxamide

C16H13FN2O2 — CID 87720226

IUPAC2-[(3-fluorophenyl)methyl]-N-hydroxy-1H-indole-6-carboxamide
SMILESO=C(NO)c1ccc2cc(Cc3cccc(F)c3)[nH]c2c1
InChIInChI=1S/C16H13FN2O2/c17-13-3-1-2-10(6-13)7-14-8-11-4-5-12(16(20)19-21)9-15(11)18-14/h1-6,8-9,18,21H,7H2,(H,19,20)
InChIKeyWMTFLIQGPOEZPB-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.02
Rot. Bonds3

About 2-[(3-fluorophenyl)methyl]-N-hydroxy-1H-indole-6-carboxamide

2-[(3-fluorophenyl)methyl]-N-hydroxy-1H-indole-6-carboxamide (PubChem CID 87720226) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-N-hydroxy-1H-indole-6-carboxamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-N-hydroxy-1H-indole-6-carboxamide
PubChem CID87720226
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name2-[(3-fluorophenyl)methyl]-N-hydroxy-1H-indole-6-carboxamide
SMILESO=C(NO)c1ccc2cc(Cc3cccc(F)c3)[nH]c2c1
InChIInChI=1S/C16H13FN2O2/c17-13-3-1-2-10(6-13)7-14-8-11-4-5-12(16(20)19-21)9-15(11)18-14/h1-6,8-9,18,21H,7H2,(H,19,20)
InChIKeyWMTFLIQGPOEZPB-UHFFFAOYSA-N
XLogP3.02
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

2-benzyl-N-hydroxy-1H-indole-6-carboxamide
CID 87783085
7-N-[2-(3-fluorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide
CID 87467122
3-fluoro-N-hydroxybenzamide
CID 5082377
N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 87468494
N-[(3-fluorophenyl)methyl]-1H-indole-6-carboxamide
CID 60764843
N-[(3-fluorophenyl)methyl]-1H-indole-5-carboxamide
CID 63716942
3-[(3-fluorophenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide
CID 87524252
3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 90480202
3-(cyclodecapentaenylmethyl)-5-fluoro-N-hydroxybenzamide
CID 155598518
4-[(3-fluorophenyl)methyl]furan-2-carboxylic acid
CID 84724580
3-fluoro-4-[(3-fluorophenyl)methyl]benzoic acid
CID 67973995
3-bromo-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 113244666

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-N-hydroxy-1H-indole-6-carboxamide?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-N-hydroxy-1H-indole-6-carboxamide (CID 87720226) is 2-[(3-fluorophenyl)methyl]-N-hydroxy-1H-indole-6-carboxamide.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-N-hydroxy-1H-indole-6-carboxamide?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-N-hydroxy-1H-indole-6-carboxamide is O=C(NO)c1ccc2cc(Cc3cccc(F)c3)[nH]c2c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-N-hydroxy-1H-indole-6-carboxamide?
The InChIKey is WMTFLIQGPOEZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-13-3-1-2-10(6-13)7-14-8-11-4-5-12(16(20)19-21)9-15(11)18-14/h1-6,8-9,18,21H,7H2,(H,19,20).
What are the key properties of 2-[(3-fluorophenyl)methyl]-N-hydroxy-1H-indole-6-carboxamide?
2-[(3-fluorophenyl)methyl]-N-hydroxy-1H-indole-6-carboxamide has a molecular weight of 284.29 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-N-hydroxy-1H-indole-6-carboxamide is sourced from PubChem (CID 87720226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).