3-[(5-chloro-2-cyanophenoxy)methyl]benzohydrazide

C15H12ClN3O2 — CID 114324027

IUPAC3-[(5-chloro-2-cyanophenoxy)methyl]benzohydrazide
SMILESN#Cc1ccc(Cl)cc1OCc1cccc(C(=O)NN)c1
InChIInChI=1S/C15H12ClN3O2/c16-13-5-4-12(8-17)14(7-13)21-9-10-2-1-3-11(6-10)15(20)19-18/h1-7H,9,18H2,(H,19,20)
InChIKeyMMGWLYVJIWEDSI-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.39
Rot. Bonds4

About 3-[(5-chloro-2-cyanophenoxy)methyl]benzohydrazide

3-[(5-chloro-2-cyanophenoxy)methyl]benzohydrazide (PubChem CID 114324027) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 3-[(5-chloro-2-cyanophenoxy)methyl]benzohydrazide.

Molecular Properties

Compound Name3-[(5-chloro-2-cyanophenoxy)methyl]benzohydrazide
PubChem CID114324027
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name3-[(5-chloro-2-cyanophenoxy)methyl]benzohydrazide
SMILESN#Cc1ccc(Cl)cc1OCc1cccc(C(=O)NN)c1
InChIInChI=1S/C15H12ClN3O2/c16-13-5-4-12(8-17)14(7-13)21-9-10-2-1-3-11(6-10)15(20)19-18/h1-7H,9,18H2,(H,19,20)
InChIKeyMMGWLYVJIWEDSI-UHFFFAOYSA-N
XLogP2.39
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.39
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-[(2-cyanophenoxy)methyl]benzohydrazide
CID 63575853
3-[(5-chloro-2-cyanophenoxy)methyl]furan-2-carbohydrazide
CID 114324023
2-[4-[(5-chloro-2-cyanophenoxy)methyl]phenyl]acetic acid
CID 105345008
3-(5-chloro-2-cyanophenoxy)propanehydrazide
CID 114324002
5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile
CID 103768202
4-chloro-2-[[4-(hydroxymethyl)phenyl]methoxy]benzonitrile
CID 112630475
2-[(4-aminophenyl)methoxy]-4-chlorobenzonitrile
CID 63082961
4-chloro-2-[2-(3-chlorophenyl)-2-oxoethoxy]benzonitrile
CID 114323790
5-(5-chloro-2-cyanophenoxy)pentanehydrazide
CID 113277477
3-[(3,4-dichlorophenoxy)methyl]benzohydrazide
CID 63575567
2-[2-[(5-chloro-2-cyanophenoxy)methyl]phenyl]acetic acid
CID 115460814
4-chloro-2-[(4-cyanophenyl)methoxy]benzonitrile
CID 80708494

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-cyanophenoxy)methyl]benzohydrazide?
The IUPAC name of 3-[(5-chloro-2-cyanophenoxy)methyl]benzohydrazide (CID 114324027) is 3-[(5-chloro-2-cyanophenoxy)methyl]benzohydrazide.
What is the SMILES notation for 3-[(5-chloro-2-cyanophenoxy)methyl]benzohydrazide?
The canonical SMILES for 3-[(5-chloro-2-cyanophenoxy)methyl]benzohydrazide is N#Cc1ccc(Cl)cc1OCc1cccc(C(=O)NN)c1.
What is the InChIKey of 3-[(5-chloro-2-cyanophenoxy)methyl]benzohydrazide?
The InChIKey is MMGWLYVJIWEDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c16-13-5-4-12(8-17)14(7-13)21-9-10-2-1-3-11(6-10)15(20)19-18/h1-7H,9,18H2,(H,19,20).
What are the key properties of 3-[(5-chloro-2-cyanophenoxy)methyl]benzohydrazide?
3-[(5-chloro-2-cyanophenoxy)methyl]benzohydrazide has a molecular weight of 301.73 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-cyanophenoxy)methyl]benzohydrazide is sourced from PubChem (CID 114324027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).