3-acetamido-5-fluoro-N-hydroxybenzamide

C9H9FN2O3 — CID 87663336

IUPAC3-acetamido-5-fluoro-N-hydroxybenzamide
SMILESCC(=O)Nc1cc(F)cc(C(=O)NO)c1
InChIInChI=1S/C9H9FN2O3/c1-5(13)11-8-3-6(9(14)12-15)2-7(10)4-8/h2-4,15H,1H3,(H,11,13)(H,12,14)
InChIKeyMHMSSRRJKYHGRA-UHFFFAOYSA-N
MW212.18 g/mol
LogP0.90
Rot. Bonds2

About 3-acetamido-5-fluoro-N-hydroxybenzamide

3-acetamido-5-fluoro-N-hydroxybenzamide (PubChem CID 87663336) has the molecular formula C9H9FN2O3 and a molecular weight of 212.18 g/mol. Its IUPAC name is 3-acetamido-5-fluoro-N-hydroxybenzamide.

Molecular Properties

Compound Name3-acetamido-5-fluoro-N-hydroxybenzamide
PubChem CID87663336
Molecular FormulaC9H9FN2O3
Molecular Weight212.18 g/mol
Exact Mass212.06
IUPAC Name3-acetamido-5-fluoro-N-hydroxybenzamide
SMILESCC(=O)Nc1cc(F)cc(C(=O)NO)c1
InChIInChI=1S/C9H9FN2O3/c1-5(13)11-8-3-6(9(14)12-15)2-7(10)4-8/h2-4,15H,1H3,(H,11,13)(H,12,14)
InChIKeyMHMSSRRJKYHGRA-UHFFFAOYSA-N
XLogP0.90
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

3-acetamido-N-(3,5-difluorophenyl)benzamide
CID 17427227
3,5-dibromo-N-(3,5-difluorophenyl)benzamide
CID 107980035
N-(3-fluoro-5-propan-2-ylphenyl)acetamide
CID 139423265
N-(3,5-diacetamidophenyl)acetamide
CID 12731559
3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide
CID 113460801
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
N-(2-acetamido-4,5-difluorophenyl)-3,5-difluorobenzamide
CID 51106132
3-fluoro-5-(iodoamino)-N-methylbenzamide
CID 138534840
N-[4-(3,5-difluorobenzoyl)phenyl]acetamide
CID 43337955
N-(3,5-dibromo-4-hydroxyphenyl)-3,5-difluorobenzamide
CID 25224306
N-(5-acetamido-2-methylphenyl)-3-bromo-5-fluorobenzamide
CID 46474246
3-fluoro-N-hydroxybenzamide
CID 5082377

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-5-fluoro-N-hydroxybenzamide?
The IUPAC name of 3-acetamido-5-fluoro-N-hydroxybenzamide (CID 87663336) is 3-acetamido-5-fluoro-N-hydroxybenzamide.
What is the SMILES notation for 3-acetamido-5-fluoro-N-hydroxybenzamide?
The canonical SMILES for 3-acetamido-5-fluoro-N-hydroxybenzamide is CC(=O)Nc1cc(F)cc(C(=O)NO)c1.
What is the InChIKey of 3-acetamido-5-fluoro-N-hydroxybenzamide?
The InChIKey is MHMSSRRJKYHGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O3/c1-5(13)11-8-3-6(9(14)12-15)2-7(10)4-8/h2-4,15H,1H3,(H,11,13)(H,12,14).
What are the key properties of 3-acetamido-5-fluoro-N-hydroxybenzamide?
3-acetamido-5-fluoro-N-hydroxybenzamide has a molecular weight of 212.18 g/mol, XLogP of 0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-5-fluoro-N-hydroxybenzamide is sourced from PubChem (CID 87663336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).