4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide

C21H14F3NO2 — CID 59492496

IUPAC4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cc1
InChIInChI=1S/C21H14F3NO2/c22-21(23,24)20(27)17-4-2-1-3-15(17)16-10-9-14(11-18(16)20)12-5-7-13(8-6-12)19(25)26/h1-11,27H,(H2,25,26)
InChIKeyFRPWDZCNAXVRHB-UHFFFAOYSA-N
MW369.34 g/mol
LogP4.23
Rot. Bonds2

About 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide

4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide (PubChem CID 59492496) has the molecular formula C21H14F3NO2 and a molecular weight of 369.34 g/mol. Its IUPAC name is 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide.

Molecular Properties

Compound Name4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide
PubChem CID59492496
Molecular FormulaC21H14F3NO2
Molecular Weight369.34 g/mol
Exact Mass369.10
IUPAC Name4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cc1
InChIInChI=1S/C21H14F3NO2/c22-21(23,24)20(27)17-4-2-1-3-15(17)16-10-9-14(11-18(16)20)12-5-7-13(8-6-12)19(25)26/h1-11,27H,(H2,25,26)
InChIKeyFRPWDZCNAXVRHB-UHFFFAOYSA-N
XLogP4.23
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(diaminomethylidene)-5-ethyl-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride
CID 118706733
3-(5-Benzyl-2-carbamoylphenyl)benzoic acid
CID 141721991
3-Carbamoyl-5-{3-[4-(trifluoromethyl)phenyl]phenyl}benzoic acid
CID 10643787
3-Carbamoyl-5-{4-[4-(trifluoromethyl)phenyl]phenyl}benzoic acid
CID 10691466
N-(diaminomethylidene)-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride
CID 118706302
N-(diaminomethylidene)-9-hydroxy-5,9-dimethylfluorene-2-carboxamide;hydrochloride
CID 118706731
N-(diaminomethylidene)-9-ethyl-9-hydroxyfluorene-2-carboxamide;hydrochloride
CID 118717210
9-butyl-N-(diaminomethylidene)-9-hydroxyfluorene-2-carboxamide;hydrochloride
CID 118717212
2-Ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide
CID 59492498
4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide
CID 59492504
4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide
CID 59492517
2-Ethynyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide
CID 59492532

Frequently Asked Questions

What is the IUPAC name of 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide?
The IUPAC name of 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide (CID 59492496) is 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide.
What is the SMILES notation for 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide?
The canonical SMILES for 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide is NC(=O)c1ccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cc1.
What is the InChIKey of 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide?
The InChIKey is FRPWDZCNAXVRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3NO2/c22-21(23,24)20(27)17-4-2-1-3-15(17)16-10-9-14(11-18(16)20)12-5-7-13(8-6-12)19(25)26/h1-11,27H,(H2,25,26).
What are the key properties of 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide?
4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide has a molecular weight of 369.34 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide is sourced from PubChem (CID 59492496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).