N-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]acetamide

C22H16F3NO2 — CID 59492683

IUPACN-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cc1
InChIInChI=1S/C22H16F3NO2/c1-13(27)26-16-9-6-14(7-10-16)15-8-11-18-17-4-2-3-5-19(17)21(28,20(18)12-15)22(23,24)25/h2-12,28H,1H3,(H,26,27)
InChIKeyOECNTOVNNNACJP-UHFFFAOYSA-N
MW383.37 g/mol
LogP5.09
Rot. Bonds2

About N-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]acetamide

N-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]acetamide (PubChem CID 59492683) has the molecular formula C22H16F3NO2 and a molecular weight of 383.37 g/mol. Its IUPAC name is N-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]acetamide
PubChem CID59492683
Molecular FormulaC22H16F3NO2
Molecular Weight383.37 g/mol
Exact Mass383.11
IUPAC NameN-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cc1
InChIInChI=1S/C22H16F3NO2/c1-13(27)26-16-9-6-14(7-10-16)15-8-11-18-17-4-2-3-5-19(17)21(28,20(18)12-15)22(23,24)25/h2-12,28H,1H3,(H,26,27)
InChIKeyOECNTOVNNNACJP-UHFFFAOYSA-N
XLogP5.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.37
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]acetamide (CID 59492683) is N-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cc1.
What is the InChIKey of N-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]acetamide?
The InChIKey is OECNTOVNNNACJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3NO2/c1-13(27)26-16-9-6-14(7-10-16)15-8-11-18-17-4-2-3-5-19(17)21(28,20(18)12-15)22(23,24)25/h2-12,28H,1H3,(H,26,27).
What are the key properties of N-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]acetamide?
N-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]acetamide has a molecular weight of 383.37 g/mol, XLogP of 5.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]acetamide is sourced from PubChem (CID 59492683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).