N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-2-(4-nitrophenyl)acetamide

C23H15F7N2O4 — CID 130262015

IUPACN-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2F)cc1
InChIInChI=1S/C23H15F7N2O4/c24-19-12-15(21(34,22(25,26)27)23(28,29)30)5-10-18(19)14-3-6-16(7-4-14)31-20(33)11-13-1-8-17(9-2-13)32(35)36/h1-10,12,34H,11H2,(H,31,33)
InChIKeyUMANBUHWIZGPIR-UHFFFAOYSA-N
MW516.37 g/mol
LogP5.89
Rot. Bonds6

About N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-2-(4-nitrophenyl)acetamide

N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-2-(4-nitrophenyl)acetamide (PubChem CID 130262015) has the molecular formula C23H15F7N2O4 and a molecular weight of 516.37 g/mol. Its IUPAC name is N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-2-(4-nitrophenyl)acetamide
PubChem CID130262015
Molecular FormulaC23H15F7N2O4
Molecular Weight516.37 g/mol
Exact Mass516.09
IUPAC NameN-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2F)cc1
InChIInChI=1S/C23H15F7N2O4/c24-19-12-15(21(34,22(25,26)27)23(28,29)30)5-10-18(19)14-3-6-16(7-4-14)31-20(33)11-13-1-8-17(9-2-13)32(35)36/h1-10,12,34H,11H2,(H,31,33)
InChIKeyUMANBUHWIZGPIR-UHFFFAOYSA-N
XLogP5.89
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.37
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-2-(4-nitrophenyl)acetamide (CID 130262015) is N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2F)cc1.
What is the InChIKey of N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-2-(4-nitrophenyl)acetamide?
The InChIKey is UMANBUHWIZGPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F7N2O4/c24-19-12-15(21(34,22(25,26)27)23(28,29)30)5-10-18(19)14-3-6-16(7-4-14)31-20(33)11-13-1-8-17(9-2-13)32(35)36/h1-10,12,34H,11H2,(H,31,33).
What are the key properties of N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-2-(4-nitrophenyl)acetamide?
N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-2-(4-nitrophenyl)acetamide has a molecular weight of 516.37 g/mol, XLogP of 5.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 130262015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).