N'-(4-hydroxybenzoyl)-3-(hydroxymethyl)benzohydrazide

C15H14N2O4 — CID 46203787

IUPACN'-(4-hydroxybenzoyl)-3-(hydroxymethyl)benzohydrazide
SMILESO=C(NNC(=O)c1cccc(CO)c1)c1ccc(O)cc1
InChIInChI=1S/C15H14N2O4/c18-9-10-2-1-3-12(8-10)15(21)17-16-14(20)11-4-6-13(19)7-5-11/h1-8,18-19H,9H2,(H,16,20)(H,17,21)
InChIKeyALQUGIYHLJBHDQ-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.96
Rot. Bonds3

About N'-(4-hydroxybenzoyl)-3-(hydroxymethyl)benzohydrazide

N'-(4-hydroxybenzoyl)-3-(hydroxymethyl)benzohydrazide (PubChem CID 46203787) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N'-(4-hydroxybenzoyl)-3-(hydroxymethyl)benzohydrazide.

Molecular Properties

Compound NameN'-(4-hydroxybenzoyl)-3-(hydroxymethyl)benzohydrazide
PubChem CID46203787
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN'-(4-hydroxybenzoyl)-3-(hydroxymethyl)benzohydrazide
SMILESO=C(NNC(=O)c1cccc(CO)c1)c1ccc(O)cc1
InChIInChI=1S/C15H14N2O4/c18-9-10-2-1-3-12(8-10)15(21)17-16-14(20)11-4-6-13(19)7-5-11/h1-8,18-19H,9H2,(H,16,20)(H,17,21)
InChIKeyALQUGIYHLJBHDQ-UHFFFAOYSA-N
XLogP0.96
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311474
3-(hydroxymethyl)-N-methoxybenzamide
CID 130675925
3-[[3-(hydroxymethyl)phenoxy]methyl]benzohydrazide
CID 63569868
3-(chloromethyl)-N-(4-hydroxyphenyl)benzamide
CID 43477757
3,4-dihydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103956150
N-cyclohexyl-3-(hydroxymethyl)benzamide
CID 91471935
3-[[(4-carbamoylbenzoyl)amino]carbamoyl]benzamide
CID 139830477
N'-(4-ethylbenzoyl)-3-fluorobenzohydrazide
CID 7759216
4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103796375
N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 959739
4-(bromomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 107216600
1-[3-(hydroxymethyl)phenyl]-3-(4-methoxyphenyl)propane-1,3-dione
CID 153485063

Frequently Asked Questions

What is the IUPAC name of N'-(4-hydroxybenzoyl)-3-(hydroxymethyl)benzohydrazide?
The IUPAC name of N'-(4-hydroxybenzoyl)-3-(hydroxymethyl)benzohydrazide (CID 46203787) is N'-(4-hydroxybenzoyl)-3-(hydroxymethyl)benzohydrazide.
What is the SMILES notation for N'-(4-hydroxybenzoyl)-3-(hydroxymethyl)benzohydrazide?
The canonical SMILES for N'-(4-hydroxybenzoyl)-3-(hydroxymethyl)benzohydrazide is O=C(NNC(=O)c1cccc(CO)c1)c1ccc(O)cc1.
What is the InChIKey of N'-(4-hydroxybenzoyl)-3-(hydroxymethyl)benzohydrazide?
The InChIKey is ALQUGIYHLJBHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-9-10-2-1-3-12(8-10)15(21)17-16-14(20)11-4-6-13(19)7-5-11/h1-8,18-19H,9H2,(H,16,20)(H,17,21).
What are the key properties of N'-(4-hydroxybenzoyl)-3-(hydroxymethyl)benzohydrazide?
N'-(4-hydroxybenzoyl)-3-(hydroxymethyl)benzohydrazide has a molecular weight of 286.29 g/mol, XLogP of 0.96, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-hydroxybenzoyl)-3-(hydroxymethyl)benzohydrazide is sourced from PubChem (CID 46203787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).