N'-diazenyl-1-[(2Z,4Z)-1,2-difluorohepta-2,4-dien-3-yl]oxyindole-5-carboximidamide

C16H17F2N5O — CID 143165709

IUPACN'-diazenyl-1-[(2Z,4Z)-1,2-difluorohepta-2,4-dien-3-yl]oxyindole-5-carboximidamide
SMILES[H]/N=N/N=C(N)c1ccc2c(ccn2OC(/C=C\CC)=C(\F)CF)c1
InChIInChI=1S/C16H17F2N5O/c1-2-3-4-15(13(18)10-17)24-23-8-7-11-9-12(5-6-14(11)23)16(19)21-22-20/h3-9H,2,10H2,1H3,(H3,19,20,21)/b4-3-,15-13-
InChIKeyFDZULZHXBWEIBT-VADLQIHFSA-N
MW333.34 g/mol
LogP3.84
Rot. Bonds7

About N'-diazenyl-1-[(2Z,4Z)-1,2-difluorohepta-2,4-dien-3-yl]oxyindole-5-carboximidamide

N'-diazenyl-1-[(2Z,4Z)-1,2-difluorohepta-2,4-dien-3-yl]oxyindole-5-carboximidamide (PubChem CID 143165709) has the molecular formula C16H17F2N5O and a molecular weight of 333.34 g/mol. Its IUPAC name is N'-diazenyl-1-[(2Z,4Z)-1,2-difluorohepta-2,4-dien-3-yl]oxyindole-5-carboximidamide.

Molecular Properties

Compound NameN'-diazenyl-1-[(2Z,4Z)-1,2-difluorohepta-2,4-dien-3-yl]oxyindole-5-carboximidamide
PubChem CID143165709
Molecular FormulaC16H17F2N5O
Molecular Weight333.34 g/mol
Exact Mass333.14
IUPAC NameN'-diazenyl-1-[(2Z,4Z)-1,2-difluorohepta-2,4-dien-3-yl]oxyindole-5-carboximidamide
SMILES[H]/N=N/N=C(N)c1ccc2c(ccn2OC(/C=C\CC)=C(\F)CF)c1
InChIInChI=1S/C16H17F2N5O/c1-2-3-4-15(13(18)10-17)24-23-8-7-11-9-12(5-6-14(11)23)16(19)21-22-20/h3-9H,2,10H2,1H3,(H3,19,20,21)/b4-3-,15-13-
InChIKeyFDZULZHXBWEIBT-VADLQIHFSA-N
XLogP3.84
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-diazenyl-1-[(2Z,4Z)-1,2-difluorohepta-2,4-dien-3-yl]oxyindole-5-carboximidamide?
The IUPAC name of N'-diazenyl-1-[(2Z,4Z)-1,2-difluorohepta-2,4-dien-3-yl]oxyindole-5-carboximidamide (CID 143165709) is N'-diazenyl-1-[(2Z,4Z)-1,2-difluorohepta-2,4-dien-3-yl]oxyindole-5-carboximidamide.
What is the SMILES notation for N'-diazenyl-1-[(2Z,4Z)-1,2-difluorohepta-2,4-dien-3-yl]oxyindole-5-carboximidamide?
The canonical SMILES for N'-diazenyl-1-[(2Z,4Z)-1,2-difluorohepta-2,4-dien-3-yl]oxyindole-5-carboximidamide is [H]/N=N/N=C(N)c1ccc2c(ccn2OC(/C=C\CC)=C(\F)CF)c1.
What is the InChIKey of N'-diazenyl-1-[(2Z,4Z)-1,2-difluorohepta-2,4-dien-3-yl]oxyindole-5-carboximidamide?
The InChIKey is FDZULZHXBWEIBT-VADLQIHFSA-N. The full InChI is InChI=1S/C16H17F2N5O/c1-2-3-4-15(13(18)10-17)24-23-8-7-11-9-12(5-6-14(11)23)16(19)21-22-20/h3-9H,2,10H2,1H3,(H3,19,20,21)/b4-3-,15-13-.
What are the key properties of N'-diazenyl-1-[(2Z,4Z)-1,2-difluorohepta-2,4-dien-3-yl]oxyindole-5-carboximidamide?
N'-diazenyl-1-[(2Z,4Z)-1,2-difluorohepta-2,4-dien-3-yl]oxyindole-5-carboximidamide has a molecular weight of 333.34 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-diazenyl-1-[(2Z,4Z)-1,2-difluorohepta-2,4-dien-3-yl]oxyindole-5-carboximidamide is sourced from PubChem (CID 143165709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).