3-benzamido-4-chloro-N-hydroxybenzamide

C14H11ClN2O3 — CID 127047653

IUPAC3-benzamido-4-chloro-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(Cl)c(NC(=O)c2ccccc2)c1
InChIInChI=1S/C14H11ClN2O3/c15-11-7-6-10(14(19)17-20)8-12(11)16-13(18)9-4-2-1-3-5-9/h1-8,20H,(H,16,18)(H,17,19)
InChIKeyBBBOKCZDRCMPOZ-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.71
Rot. Bonds3

About 3-benzamido-4-chloro-N-hydroxybenzamide

3-benzamido-4-chloro-N-hydroxybenzamide (PubChem CID 127047653) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 3-benzamido-4-chloro-N-hydroxybenzamide.

Molecular Properties

Compound Name3-benzamido-4-chloro-N-hydroxybenzamide
PubChem CID127047653
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name3-benzamido-4-chloro-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(Cl)c(NC(=O)c2ccccc2)c1
InChIInChI=1S/C14H11ClN2O3/c15-11-7-6-10(14(19)17-20)8-12(11)16-13(18)9-4-2-1-3-5-9/h1-8,20H,(H,16,18)(H,17,19)
InChIKeyBBBOKCZDRCMPOZ-UHFFFAOYSA-N
XLogP2.71
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.71
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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Frequently Asked Questions

What is the IUPAC name of 3-benzamido-4-chloro-N-hydroxybenzamide?
The IUPAC name of 3-benzamido-4-chloro-N-hydroxybenzamide (CID 127047653) is 3-benzamido-4-chloro-N-hydroxybenzamide.
What is the SMILES notation for 3-benzamido-4-chloro-N-hydroxybenzamide?
The canonical SMILES for 3-benzamido-4-chloro-N-hydroxybenzamide is O=C(NO)c1ccc(Cl)c(NC(=O)c2ccccc2)c1.
What is the InChIKey of 3-benzamido-4-chloro-N-hydroxybenzamide?
The InChIKey is BBBOKCZDRCMPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c15-11-7-6-10(14(19)17-20)8-12(11)16-13(18)9-4-2-1-3-5-9/h1-8,20H,(H,16,18)(H,17,19).
What are the key properties of 3-benzamido-4-chloro-N-hydroxybenzamide?
3-benzamido-4-chloro-N-hydroxybenzamide has a molecular weight of 290.71 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-4-chloro-N-hydroxybenzamide is sourced from PubChem (CID 127047653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).