N-[1-[4-(4-cyanophenyl)phenoxy]-3-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]-N-hydroxyformamide

C23H15F5N2O3 — CID 101116405

IUPACN-[1-[4-(4-cyanophenyl)phenoxy]-3-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]-N-hydroxyformamide
SMILESN#Cc1ccc(-c2ccc(OCC(Cc3c(F)c(F)c(F)c(F)c3F)N(O)C=O)cc2)cc1
InChIInChI=1S/C23H15F5N2O3/c24-19-18(20(25)22(27)23(28)21(19)26)9-16(30(32)12-31)11-33-17-7-5-15(6-8-17)14-3-1-13(10-29)2-4-14/h1-8,12,16,32H,9,11H2
InChIKeyKZOZUEJKRBPNOQ-UHFFFAOYSA-N
MW462.37 g/mol
LogP4.76
Rot. Bonds8

About N-[1-[4-(4-cyanophenyl)phenoxy]-3-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]-N-hydroxyformamide

N-[1-[4-(4-cyanophenyl)phenoxy]-3-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]-N-hydroxyformamide (PubChem CID 101116405) has the molecular formula C23H15F5N2O3 and a molecular weight of 462.37 g/mol. Its IUPAC name is N-[1-[4-(4-cyanophenyl)phenoxy]-3-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[1-[4-(4-cyanophenyl)phenoxy]-3-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]-N-hydroxyformamide
PubChem CID101116405
Molecular FormulaC23H15F5N2O3
Molecular Weight462.37 g/mol
Exact Mass462.10
IUPAC NameN-[1-[4-(4-cyanophenyl)phenoxy]-3-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]-N-hydroxyformamide
SMILESN#Cc1ccc(-c2ccc(OCC(Cc3c(F)c(F)c(F)c(F)c3F)N(O)C=O)cc2)cc1
InChIInChI=1S/C23H15F5N2O3/c24-19-18(20(25)22(27)23(28)21(19)26)9-16(30(32)12-31)11-33-17-7-5-15(6-8-17)14-3-1-13(10-29)2-4-14/h1-8,12,16,32H,9,11H2
InChIKeyKZOZUEJKRBPNOQ-UHFFFAOYSA-N
XLogP4.76
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.37
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(4-cyanophenyl)phenoxy]-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-N-hydroxyformamide
CID 101116404
N-[1-[4-(4-cyanophenyl)phenoxy]-3-(3-ethyl-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide
CID 10253223
4-[4-[6-(2,3,4,5,6-pentafluorophenoxy)hexoxy]phenyl]benzonitrile
CID 86004959
4-[4-(bromomethoxy)phenyl]benzonitrile
CID 174243414
4-[4-[7-[4-[4-[7-[4-(4-cyanophenyl)phenoxy]heptoxy]phenyl]phenoxy]heptoxy]phenyl]benzonitrile
CID 15322371
N-[(2S)-1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-(4-methoxyphenyl)phenoxy]propan-2-yl]-N-hydroxyformamide
CID 10137341
4-[2-(4-cyanophenoxy)-1-hydroxyethyl]benzonitrile
CID 109412889
tris[3-[4-(4-cyanophenyl)phenoxy]-2-methylpropyl] benzene-1,3,5-tricarboxylate
CID 102025560
4-[4-[(4-fluorophenyl)methoxy]phenyl]benzonitrile
CID 7670853
2-[3-[4-(4-cyanophenyl)phenoxy]propyl]propanedioic acid
CID 18326855
4-[[4-(2,3-dihydroxypropoxy)phenyl]diazenyl]benzonitrile
CID 71356146
4-(3-bromo-2-hydroxypropoxy)benzonitrile
CID 100978622

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-cyanophenyl)phenoxy]-3-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]-N-hydroxyformamide?
The IUPAC name of N-[1-[4-(4-cyanophenyl)phenoxy]-3-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]-N-hydroxyformamide (CID 101116405) is N-[1-[4-(4-cyanophenyl)phenoxy]-3-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]-N-hydroxyformamide.
What is the SMILES notation for N-[1-[4-(4-cyanophenyl)phenoxy]-3-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]-N-hydroxyformamide?
The canonical SMILES for N-[1-[4-(4-cyanophenyl)phenoxy]-3-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]-N-hydroxyformamide is N#Cc1ccc(-c2ccc(OCC(Cc3c(F)c(F)c(F)c(F)c3F)N(O)C=O)cc2)cc1.
What is the InChIKey of N-[1-[4-(4-cyanophenyl)phenoxy]-3-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]-N-hydroxyformamide?
The InChIKey is KZOZUEJKRBPNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F5N2O3/c24-19-18(20(25)22(27)23(28)21(19)26)9-16(30(32)12-31)11-33-17-7-5-15(6-8-17)14-3-1-13(10-29)2-4-14/h1-8,12,16,32H,9,11H2.
What are the key properties of N-[1-[4-(4-cyanophenyl)phenoxy]-3-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]-N-hydroxyformamide?
N-[1-[4-(4-cyanophenyl)phenoxy]-3-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]-N-hydroxyformamide has a molecular weight of 462.37 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-cyanophenyl)phenoxy]-3-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]-N-hydroxyformamide is sourced from PubChem (CID 101116405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).