3-[(3-fluoro-5-methoxyphenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide

C16H14FN3O3 — CID 87265978

IUPAC3-[(3-fluoro-5-methoxyphenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide
SMILESCOc1cc(F)cc(Cn2cnc3ccc(C(=O)NO)cc32)c1
InChIInChI=1S/C16H14FN3O3/c1-23-13-5-10(4-12(17)7-13)8-20-9-18-14-3-2-11(6-15(14)20)16(21)19-22/h2-7,9,22H,8H2,1H3,(H,19,21)
InChIKeyZJOHTFZXYKKUTE-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.35
Rot. Bonds4

About 3-[(3-fluoro-5-methoxyphenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide

3-[(3-fluoro-5-methoxyphenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide (PubChem CID 87265978) has the molecular formula C16H14FN3O3 and a molecular weight of 315.30 g/mol. Its IUPAC name is 3-[(3-fluoro-5-methoxyphenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-[(3-fluoro-5-methoxyphenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide
PubChem CID87265978
Molecular FormulaC16H14FN3O3
Molecular Weight315.30 g/mol
Exact Mass315.10
IUPAC Name3-[(3-fluoro-5-methoxyphenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide
SMILESCOc1cc(F)cc(Cn2cnc3ccc(C(=O)NO)cc32)c1
InChIInChI=1S/C16H14FN3O3/c1-23-13-5-10(4-12(17)7-13)8-20-9-18-14-3-2-11(6-15(14)20)16(21)19-22/h2-7,9,22H,8H2,1H3,(H,19,21)
InChIKeyZJOHTFZXYKKUTE-UHFFFAOYSA-N
XLogP2.35
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-5-methoxyphenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide?
The IUPAC name of 3-[(3-fluoro-5-methoxyphenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide (CID 87265978) is 3-[(3-fluoro-5-methoxyphenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide.
What is the SMILES notation for 3-[(3-fluoro-5-methoxyphenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide?
The canonical SMILES for 3-[(3-fluoro-5-methoxyphenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide is COc1cc(F)cc(Cn2cnc3ccc(C(=O)NO)cc32)c1.
What is the InChIKey of 3-[(3-fluoro-5-methoxyphenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide?
The InChIKey is ZJOHTFZXYKKUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3/c1-23-13-5-10(4-12(17)7-13)8-20-9-18-14-3-2-11(6-15(14)20)16(21)19-22/h2-7,9,22H,8H2,1H3,(H,19,21).
What are the key properties of 3-[(3-fluoro-5-methoxyphenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide?
3-[(3-fluoro-5-methoxyphenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide has a molecular weight of 315.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-5-methoxyphenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide is sourced from PubChem (CID 87265978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).