2-(3,5-difluorophenyl)-N'-hydroxy-3-(1H-indazol-5-yl)-5-propylbenzenecarboximidamide

C23H20F2N4O — CID 71493105

IUPAC2-(3,5-difluorophenyl)-N'-hydroxy-3-(1H-indazol-5-yl)-5-propylbenzenecarboximidamide
SMILESCCCc1cc(/C(N)=N/O)c(-c2cc(F)cc(F)c2)c(-c2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C23H20F2N4O/c1-2-3-13-6-19(14-4-5-21-16(8-14)12-27-28-21)22(20(7-13)23(26)29-30)15-9-17(24)11-18(25)10-15/h4-12,30H,2-3H2,1H3,(H2,26,29)(H,27,28)
InChIKeyQGORGOWPQYOYAY-UHFFFAOYSA-N
MW406.44 g/mol
LogP5.22
Rot. Bonds5

About 2-(3,5-difluorophenyl)-N'-hydroxy-3-(1H-indazol-5-yl)-5-propylbenzenecarboximidamide

2-(3,5-difluorophenyl)-N'-hydroxy-3-(1H-indazol-5-yl)-5-propylbenzenecarboximidamide (PubChem CID 71493105) has the molecular formula C23H20F2N4O and a molecular weight of 406.44 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N'-hydroxy-3-(1H-indazol-5-yl)-5-propylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N'-hydroxy-3-(1H-indazol-5-yl)-5-propylbenzenecarboximidamide
PubChem CID71493105
Molecular FormulaC23H20F2N4O
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name2-(3,5-difluorophenyl)-N'-hydroxy-3-(1H-indazol-5-yl)-5-propylbenzenecarboximidamide
SMILESCCCc1cc(/C(N)=N/O)c(-c2cc(F)cc(F)c2)c(-c2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C23H20F2N4O/c1-2-3-13-6-19(14-4-5-21-16(8-14)12-27-28-21)22(20(7-13)23(26)29-30)15-9-17(24)11-18(25)10-15/h4-12,30H,2-3H2,1H3,(H2,26,29)(H,27,28)
InChIKeyQGORGOWPQYOYAY-UHFFFAOYSA-N
XLogP5.22
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.44
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N'-hydroxy-3-(1H-indazol-5-yl)-5-propylbenzenecarboximidamide?
The IUPAC name of 2-(3,5-difluorophenyl)-N'-hydroxy-3-(1H-indazol-5-yl)-5-propylbenzenecarboximidamide (CID 71493105) is 2-(3,5-difluorophenyl)-N'-hydroxy-3-(1H-indazol-5-yl)-5-propylbenzenecarboximidamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N'-hydroxy-3-(1H-indazol-5-yl)-5-propylbenzenecarboximidamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-N'-hydroxy-3-(1H-indazol-5-yl)-5-propylbenzenecarboximidamide is CCCc1cc(/C(N)=N/O)c(-c2cc(F)cc(F)c2)c(-c2ccc3[nH]ncc3c2)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N'-hydroxy-3-(1H-indazol-5-yl)-5-propylbenzenecarboximidamide?
The InChIKey is QGORGOWPQYOYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O/c1-2-3-13-6-19(14-4-5-21-16(8-14)12-27-28-21)22(20(7-13)23(26)29-30)15-9-17(24)11-18(25)10-15/h4-12,30H,2-3H2,1H3,(H2,26,29)(H,27,28).
What are the key properties of 2-(3,5-difluorophenyl)-N'-hydroxy-3-(1H-indazol-5-yl)-5-propylbenzenecarboximidamide?
2-(3,5-difluorophenyl)-N'-hydroxy-3-(1H-indazol-5-yl)-5-propylbenzenecarboximidamide has a molecular weight of 406.44 g/mol, XLogP of 5.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N'-hydroxy-3-(1H-indazol-5-yl)-5-propylbenzenecarboximidamide is sourced from PubChem (CID 71493105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).