N-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxamide

C17H14F3NO2 — CID 59492823

IUPACN-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxamide
SMILESCCNC(=O)c1ccc2c(c1)-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C17H14F3NO2/c1-2-21-15(22)10-7-8-14-12(9-10)11-5-3-4-6-13(11)16(14,23)17(18,19)20/h3-9,23H,2H2,1H3,(H,21,22)
InChIKeyMXMVKKSLBAJSEF-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.21
Rot. Bonds2

About N-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxamide

N-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxamide (PubChem CID 59492823) has the molecular formula C17H14F3NO2 and a molecular weight of 321.30 g/mol. Its IUPAC name is N-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxamide
PubChem CID59492823
Molecular FormulaC17H14F3NO2
Molecular Weight321.30 g/mol
Exact Mass321.10
IUPAC NameN-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxamide
SMILESCCNC(=O)c1ccc2c(c1)-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C17H14F3NO2/c1-2-21-15(22)10-7-8-14-12(9-10)11-5-3-4-6-13(11)16(14,23)17(18,19)20/h3-9,23H,2H2,1H3,(H,21,22)
InChIKeyMXMVKKSLBAJSEF-UHFFFAOYSA-N
XLogP3.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-methyl-4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)benzamide
CID 10271742
N-methyl-N-phenethyl-4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)benzamide
CID 11632811
2-[4-[(Pentanoylamino)methyl]phenyl]benzoic acid
CID 144527428
2-[2-[[3-(Trifluoromethyl)phenyl]methylcarbamoyl]phenyl]benzoic acid
CID 1431346
N-phenethyl-4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)benzamide
CID 11610826
4-[[(3,4-Dimethylbenzoyl)amino]methyl]benzoic acid
CID 17171885
4-[4-[[2-(Trifluoromethyl)phenyl]methylcarbamoyl]phenyl]benzoic acid
CID 127040870
3-[4-[[2-(Trifluoromethyl)phenyl]methylcarbamoyl]phenyl]benzoic acid
CID 127040871
4-[[(4-Tert-butylbenzoyl)amino]methyl]-3-methylbenzoic acid
CID 137651853
4-[[(4-Tert-butylbenzoyl)amino]methyl]-2-methylbenzoic acid
CID 137651997
US8609678, 4-(1-(4-fluorophenyl)-1-hydroxyethyl)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide [106]
CID 53340546
4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide
CID 59492496

Frequently Asked Questions

What is the IUPAC name of N-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxamide?
The IUPAC name of N-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxamide (CID 59492823) is N-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxamide.
What is the SMILES notation for N-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxamide?
The canonical SMILES for N-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxamide is CCNC(=O)c1ccc2c(c1)-c1ccccc1C2(O)C(F)(F)F.
What is the InChIKey of N-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxamide?
The InChIKey is MXMVKKSLBAJSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO2/c1-2-21-15(22)10-7-8-14-12(9-10)11-5-3-4-6-13(11)16(14,23)17(18,19)20/h3-9,23H,2H2,1H3,(H,21,22).
What are the key properties of N-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxamide?
N-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxamide has a molecular weight of 321.30 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxamide is sourced from PubChem (CID 59492823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).