3-[(2-cyanophenoxy)methyl]benzohydrazide

C15H13N3O2 — CID 63575853

IUPAC3-[(2-cyanophenoxy)methyl]benzohydrazide
SMILESN#Cc1ccccc1OCc1cccc(C(=O)NN)c1
InChIInChI=1S/C15H13N3O2/c16-9-13-5-1-2-7-14(13)20-10-11-4-3-6-12(8-11)15(19)18-17/h1-8H,10,17H2,(H,18,19)
InChIKeyZRYPWYFGDBJBGP-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.74
Rot. Bonds4

About 3-[(2-cyanophenoxy)methyl]benzohydrazide

3-[(2-cyanophenoxy)methyl]benzohydrazide (PubChem CID 63575853) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-[(2-cyanophenoxy)methyl]benzohydrazide.

Molecular Properties

Compound Name3-[(2-cyanophenoxy)methyl]benzohydrazide
PubChem CID63575853
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-[(2-cyanophenoxy)methyl]benzohydrazide
SMILESN#Cc1ccccc1OCc1cccc(C(=O)NN)c1
InChIInChI=1S/C15H13N3O2/c16-9-13-5-1-2-7-14(13)20-10-11-4-3-6-12(8-11)15(19)18-17/h1-8H,10,17H2,(H,18,19)
InChIKeyZRYPWYFGDBJBGP-UHFFFAOYSA-N
XLogP1.74
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-chloro-2-cyanophenoxy)methyl]benzohydrazide
CID 114324027
3-[(2-cyanophenoxy)methyl]benzoic acid
CID 24708246
3-(cyanomethyl)benzohydrazide
CID 68715824
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-cyanophenoxy)methyl]benzamide
CID 86957972
4-[(2-cyanophenoxy)methyl]-5-methylthiophene-2-carbohydrazide
CID 80734004
3-[(4-ethoxyphenoxy)methyl]benzohydrazide
CID 840785
3-[[3-(hydroxymethyl)phenoxy]methyl]benzohydrazide
CID 63569868
3-[(2-bromo-6-methoxyphenoxy)methyl]benzohydrazide
CID 83137082
2-phenylmethoxybenzonitrile;propane
CID 142369146
3-[(4-formylphenoxy)methyl]benzohydrazide
CID 63571221
3-[(3-fluorophenoxy)methyl]benzohydrazide
CID 63576868
2-[[3-[4-(5-methylfuran-2-carbonyl)piperazine-1-carbonyl]phenyl]methoxy]benzonitrile
CID 86953039

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyanophenoxy)methyl]benzohydrazide?
The IUPAC name of 3-[(2-cyanophenoxy)methyl]benzohydrazide (CID 63575853) is 3-[(2-cyanophenoxy)methyl]benzohydrazide.
What is the SMILES notation for 3-[(2-cyanophenoxy)methyl]benzohydrazide?
The canonical SMILES for 3-[(2-cyanophenoxy)methyl]benzohydrazide is N#Cc1ccccc1OCc1cccc(C(=O)NN)c1.
What is the InChIKey of 3-[(2-cyanophenoxy)methyl]benzohydrazide?
The InChIKey is ZRYPWYFGDBJBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-9-13-5-1-2-7-14(13)20-10-11-4-3-6-12(8-11)15(19)18-17/h1-8H,10,17H2,(H,18,19).
What are the key properties of 3-[(2-cyanophenoxy)methyl]benzohydrazide?
3-[(2-cyanophenoxy)methyl]benzohydrazide has a molecular weight of 267.29 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyanophenoxy)methyl]benzohydrazide is sourced from PubChem (CID 63575853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).