3-[(2-benzoyl-2-methylhydrazinyl)methyl]-2-hydroxybenzoic acid

C16H16N2O4 — CID 10780554

IUPAC3-[(2-benzoyl-2-methylhydrazinyl)methyl]-2-hydroxybenzoic acid
SMILESCN(NCc1cccc(C(=O)O)c1O)C(=O)c1ccccc1
InChIInChI=1S/C16H16N2O4/c1-18(15(20)11-6-3-2-4-7-11)17-10-12-8-5-9-13(14(12)19)16(21)22/h2-9,17,19H,10H2,1H3,(H,21,22)
InChIKeyCCHRHCXGJOBTQR-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.87
Rot. Bonds5

About 3-[(2-benzoyl-2-methylhydrazinyl)methyl]-2-hydroxybenzoic acid

3-[(2-benzoyl-2-methylhydrazinyl)methyl]-2-hydroxybenzoic acid (PubChem CID 10780554) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 3-[(2-benzoyl-2-methylhydrazinyl)methyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(2-benzoyl-2-methylhydrazinyl)methyl]-2-hydroxybenzoic acid
PubChem CID10780554
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name3-[(2-benzoyl-2-methylhydrazinyl)methyl]-2-hydroxybenzoic acid
SMILESCN(NCc1cccc(C(=O)O)c1O)C(=O)c1ccccc1
InChIInChI=1S/C16H16N2O4/c1-18(15(20)11-6-3-2-4-7-11)17-10-12-8-5-9-13(14(12)19)16(21)22/h2-9,17,19H,10H2,1H3,(H,21,22)
InChIKeyCCHRHCXGJOBTQR-UHFFFAOYSA-N
XLogP1.87
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', '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-[(2-benzoyl-2-methylhydrazinyl)methyl]-2-hydroxybenzoic acid?
The IUPAC name of 3-[(2-benzoyl-2-methylhydrazinyl)methyl]-2-hydroxybenzoic acid (CID 10780554) is 3-[(2-benzoyl-2-methylhydrazinyl)methyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 3-[(2-benzoyl-2-methylhydrazinyl)methyl]-2-hydroxybenzoic acid?
The canonical SMILES for 3-[(2-benzoyl-2-methylhydrazinyl)methyl]-2-hydroxybenzoic acid is CN(NCc1cccc(C(=O)O)c1O)C(=O)c1ccccc1.
What is the InChIKey of 3-[(2-benzoyl-2-methylhydrazinyl)methyl]-2-hydroxybenzoic acid?
The InChIKey is CCHRHCXGJOBTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-18(15(20)11-6-3-2-4-7-11)17-10-12-8-5-9-13(14(12)19)16(21)22/h2-9,17,19H,10H2,1H3,(H,21,22).
What are the key properties of 3-[(2-benzoyl-2-methylhydrazinyl)methyl]-2-hydroxybenzoic acid?
3-[(2-benzoyl-2-methylhydrazinyl)methyl]-2-hydroxybenzoic acid has a molecular weight of 300.31 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-benzoyl-2-methylhydrazinyl)methyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 10780554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).