N'-[bis(2-hydroxyphenyl)methyl]benzohydrazide

C20H18N2O3 — CID 139929834

IUPACN'-[bis(2-hydroxyphenyl)methyl]benzohydrazide
SMILESO=C(NNC(c1ccccc1O)c1ccccc1O)c1ccccc1
InChIInChI=1S/C20H18N2O3/c23-17-12-6-4-10-15(17)19(16-11-5-7-13-18(16)24)21-22-20(25)14-8-2-1-3-9-14/h1-13,19,21,23-24H,(H,22,25)
InChIKeyJWTJWGCADDDQCA-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.12
Rot. Bonds5

About N'-[bis(2-hydroxyphenyl)methyl]benzohydrazide

N'-[bis(2-hydroxyphenyl)methyl]benzohydrazide (PubChem CID 139929834) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is N'-[bis(2-hydroxyphenyl)methyl]benzohydrazide.

Molecular Properties

Compound NameN'-[bis(2-hydroxyphenyl)methyl]benzohydrazide
PubChem CID139929834
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC NameN'-[bis(2-hydroxyphenyl)methyl]benzohydrazide
SMILESO=C(NNC(c1ccccc1O)c1ccccc1O)c1ccccc1
InChIInChI=1S/C20H18N2O3/c23-17-12-6-4-10-15(17)19(16-11-5-7-13-18(16)24)21-22-20(25)14-8-2-1-3-9-14/h1-13,19,21,23-24H,(H,22,25)
InChIKeyJWTJWGCADDDQCA-UHFFFAOYSA-N
XLogP3.12
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.12
H-Bond Donors ≤ 54
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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Related Compounds

N'-[(2R)-3-methylbutan-2-yl]benzohydrazide
CID 134967079
N'-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)benzohydrazide
CID 172741610
N'-[(2R)-4-methylpentan-2-yl]benzohydrazide
CID 134953051
N'-oxidobenzohydrazide
CID 174971627
N'-[(1S)-1,2-diphenylethyl]benzohydrazide
CID 14923144
N-(2-propan-2-ylphenyl)benzamide
CID 723391
N-[(4-hydroxyphenyl)-phenylmethyl]benzamide
CID 135070955
ethyl 2-(2-benzoylhydrazinyl)propanoate
CID 19432092
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
N'-(hydroxymethyl)benzohydrazide
CID 130128548
N'-(2-oxo-2-phenylacetyl)benzohydrazide
CID 12792453
(2R)-2-[2-(4-benzoylbenzoyl)hydrazinyl]-3-sulfanylpropanoic acid
CID 154726990

Frequently Asked Questions

What is the IUPAC name of N'-[bis(2-hydroxyphenyl)methyl]benzohydrazide?
The IUPAC name of N'-[bis(2-hydroxyphenyl)methyl]benzohydrazide (CID 139929834) is N'-[bis(2-hydroxyphenyl)methyl]benzohydrazide.
What is the SMILES notation for N'-[bis(2-hydroxyphenyl)methyl]benzohydrazide?
The canonical SMILES for N'-[bis(2-hydroxyphenyl)methyl]benzohydrazide is O=C(NNC(c1ccccc1O)c1ccccc1O)c1ccccc1.
What is the InChIKey of N'-[bis(2-hydroxyphenyl)methyl]benzohydrazide?
The InChIKey is JWTJWGCADDDQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c23-17-12-6-4-10-15(17)19(16-11-5-7-13-18(16)24)21-22-20(25)14-8-2-1-3-9-14/h1-13,19,21,23-24H,(H,22,25).
What are the key properties of N'-[bis(2-hydroxyphenyl)methyl]benzohydrazide?
N'-[bis(2-hydroxyphenyl)methyl]benzohydrazide has a molecular weight of 334.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[bis(2-hydroxyphenyl)methyl]benzohydrazide is sourced from PubChem (CID 139929834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).