3-chloro-N-hydroxybenzamide

C7H6ClNO2 — CID 3703716

IUPAC3-chloro-N-hydroxybenzamide
SMILESO=C(NO)c1cccc(Cl)c1
InChIInChI=1S/C7H6ClNO2/c8-6-3-1-2-5(4-6)7(10)9-11/h1-4,11H,(H,9,10)
InChIKeyXZHJUCXKSNAJQP-UHFFFAOYSA-N
MW171.58 g/mol
LogP1.46
Rot. Bonds1

About 3-chloro-N-hydroxybenzamide

3-chloro-N-hydroxybenzamide (PubChem CID 3703716) has the molecular formula C7H6ClNO2 and a molecular weight of 171.58 g/mol. Its IUPAC name is 3-chloro-N-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-hydroxybenzamide
PubChem CID3703716
Molecular FormulaC7H6ClNO2
Molecular Weight171.58 g/mol
Exact Mass171.01
IUPAC Name3-chloro-N-hydroxybenzamide
SMILESO=C(NO)c1cccc(Cl)c1
InChIInChI=1S/C7H6ClNO2/c8-6-3-1-2-5(4-6)7(10)9-11/h1-4,11H,(H,9,10)
InChIKeyXZHJUCXKSNAJQP-UHFFFAOYSA-N
XLogP1.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.58
LogP ≤ 51.46
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-hydroxybenzamide?
The IUPAC name of 3-chloro-N-hydroxybenzamide (CID 3703716) is 3-chloro-N-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-hydroxybenzamide is O=C(NO)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-hydroxybenzamide?
The InChIKey is XZHJUCXKSNAJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO2/c8-6-3-1-2-5(4-6)7(10)9-11/h1-4,11H,(H,9,10).
What are the key properties of 3-chloro-N-hydroxybenzamide?
3-chloro-N-hydroxybenzamide has a molecular weight of 171.58 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-hydroxybenzamide is sourced from PubChem (CID 3703716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).