4-[(4-chloroanilino)methyl]-N-hydroxybenzamide

C14H13ClN2O2 — CID 25218545

IUPAC4-[(4-chloroanilino)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CNc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H13ClN2O2/c15-12-5-7-13(8-6-12)16-9-10-1-3-11(4-2-10)14(18)17-19/h1-8,16,19H,9H2,(H,17,18)
InChIKeyXIWCPYBZRNWCPD-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.07
Rot. Bonds4

About 4-[(4-chloroanilino)methyl]-N-hydroxybenzamide

4-[(4-chloroanilino)methyl]-N-hydroxybenzamide (PubChem CID 25218545) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 4-[(4-chloroanilino)methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(4-chloroanilino)methyl]-N-hydroxybenzamide
PubChem CID25218545
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name4-[(4-chloroanilino)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CNc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H13ClN2O2/c15-12-5-7-13(8-6-12)16-9-10-1-3-11(4-2-10)14(18)17-19/h1-8,16,19H,9H2,(H,17,18)
InChIKeyXIWCPYBZRNWCPD-UHFFFAOYSA-N
XLogP3.07
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.07
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 4-[(4-chloroanilino)methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(4-chloroanilino)methyl]-N-hydroxybenzamide (CID 25218545) is 4-[(4-chloroanilino)methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(4-chloroanilino)methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(4-chloroanilino)methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(CNc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chloroanilino)methyl]-N-hydroxybenzamide?
The InChIKey is XIWCPYBZRNWCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-12-5-7-13(8-6-12)16-9-10-1-3-11(4-2-10)14(18)17-19/h1-8,16,19H,9H2,(H,17,18).
What are the key properties of 4-[(4-chloroanilino)methyl]-N-hydroxybenzamide?
4-[(4-chloroanilino)methyl]-N-hydroxybenzamide has a molecular weight of 276.72 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloroanilino)methyl]-N-hydroxybenzamide is sourced from PubChem (CID 25218545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).