N'-[2-(2-cyanophenoxy)acetyl]-2-[4-(difluoromethoxy)phenyl]acetohydrazide

C18H15F2N3O4 — CID 35947456

IUPACN'-[2-(2-cyanophenoxy)acetyl]-2-[4-(difluoromethoxy)phenyl]acetohydrazide
SMILESN#Cc1ccccc1OCC(=O)NNC(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H15F2N3O4/c19-18(20)27-14-7-5-12(6-8-14)9-16(24)22-23-17(25)11-26-15-4-2-1-3-13(15)10-21/h1-8,18H,9,11H2,(H,22,24)(H,23,25)
InChIKeyYXSOUFNSQOQOFJ-UHFFFAOYSA-N
MW375.33 g/mol
LogP1.93
Rot. Bonds7

About N'-[2-(2-cyanophenoxy)acetyl]-2-[4-(difluoromethoxy)phenyl]acetohydrazide

N'-[2-(2-cyanophenoxy)acetyl]-2-[4-(difluoromethoxy)phenyl]acetohydrazide (PubChem CID 35947456) has the molecular formula C18H15F2N3O4 and a molecular weight of 375.33 g/mol. Its IUPAC name is N'-[2-(2-cyanophenoxy)acetyl]-2-[4-(difluoromethoxy)phenyl]acetohydrazide.

Molecular Properties

Compound NameN'-[2-(2-cyanophenoxy)acetyl]-2-[4-(difluoromethoxy)phenyl]acetohydrazide
PubChem CID35947456
Molecular FormulaC18H15F2N3O4
Molecular Weight375.33 g/mol
Exact Mass375.10
IUPAC NameN'-[2-(2-cyanophenoxy)acetyl]-2-[4-(difluoromethoxy)phenyl]acetohydrazide
SMILESN#Cc1ccccc1OCC(=O)NNC(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H15F2N3O4/c19-18(20)27-14-7-5-12(6-8-14)9-16(24)22-23-17(25)11-26-15-4-2-1-3-13(15)10-21/h1-8,18H,9,11H2,(H,22,24)(H,23,25)
InChIKeyYXSOUFNSQOQOFJ-UHFFFAOYSA-N
XLogP1.93
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyanophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 9261449
(2R)-N'-[2-(2-cyanophenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 8008591
2-(2-cyanophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2565568
N'-[2-(2-cyanophenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide
CID 24645668
N'-[(E)-1-[4-(difluoromethoxy)phenyl]prop-1-enyl]-2-(2-methoxyphenoxy)acetohydrazide
CID 2379796
N'-[2-(2-cyanophenoxy)acetyl]-2-(2-methoxy-5-methylphenyl)acetohydrazide
CID 9376079
N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 18164708
2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2706739
N-[(4-chlorophenyl)methyl]-2-(2-cyanophenoxy)acetamide
CID 2565510
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352
2-(2-cyanophenoxy)-N-(2,6-difluorophenyl)acetamide
CID 2565570
N-[4-(difluoromethoxy)phenyl]-2-(2-hydroxyphenoxy)acetamide
CID 78770173

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-cyanophenoxy)acetyl]-2-[4-(difluoromethoxy)phenyl]acetohydrazide?
The IUPAC name of N'-[2-(2-cyanophenoxy)acetyl]-2-[4-(difluoromethoxy)phenyl]acetohydrazide (CID 35947456) is N'-[2-(2-cyanophenoxy)acetyl]-2-[4-(difluoromethoxy)phenyl]acetohydrazide.
What is the SMILES notation for N'-[2-(2-cyanophenoxy)acetyl]-2-[4-(difluoromethoxy)phenyl]acetohydrazide?
The canonical SMILES for N'-[2-(2-cyanophenoxy)acetyl]-2-[4-(difluoromethoxy)phenyl]acetohydrazide is N#Cc1ccccc1OCC(=O)NNC(=O)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of N'-[2-(2-cyanophenoxy)acetyl]-2-[4-(difluoromethoxy)phenyl]acetohydrazide?
The InChIKey is YXSOUFNSQOQOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O4/c19-18(20)27-14-7-5-12(6-8-14)9-16(24)22-23-17(25)11-26-15-4-2-1-3-13(15)10-21/h1-8,18H,9,11H2,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2-cyanophenoxy)acetyl]-2-[4-(difluoromethoxy)phenyl]acetohydrazide?
N'-[2-(2-cyanophenoxy)acetyl]-2-[4-(difluoromethoxy)phenyl]acetohydrazide has a molecular weight of 375.33 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-cyanophenoxy)acetyl]-2-[4-(difluoromethoxy)phenyl]acetohydrazide is sourced from PubChem (CID 35947456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).