1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide

C22H21F3N2O3 — CID 59492597

IUPAC1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C22H21F3N2O3/c1-26(2)20(29)18-8-5-11-27(18)19(28)13-9-10-15-14-6-3-4-7-16(14)21(30,17(15)12-13)22(23,24)25/h3-4,6-7,9-10,12,18,30H,5,8,11H2,1-2H3
InChIKeyRAZJFNQDIVJDAP-UHFFFAOYSA-N
MW418.42 g/mol
LogP3.16
Rot. Bonds2

About 1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 59492597) has the molecular formula C22H21F3N2O3 and a molecular weight of 418.42 g/mol. Its IUPAC name is 1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID59492597
Molecular FormulaC22H21F3N2O3
Molecular Weight418.42 g/mol
Exact Mass418.15
IUPAC Name1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C22H21F3N2O3/c1-26(2)20(29)18-8-5-11-27(18)19(28)13-9-10-15-14-6-3-4-7-16(14)21(30,17(15)12-13)22(23,24)25/h3-4,6-7,9-10,12,18,30H,5,8,11H2,1-2H3
InChIKeyRAZJFNQDIVJDAP-UHFFFAOYSA-N
XLogP3.16
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]pyrrolidin-2-yl]propan-1-one
CID 149285076
[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 143972525
N-[1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
CID 59492670
(3-hydroxypyrrolidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492747
1-(3-amino-4-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575377
N,N-dimethyl-1-(3-phenoxybenzoyl)pyrrolidine-2-carboxamide
CID 134033098
1-(4-bromo-3-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 80979299
N,N-dimethyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 43420149
1-(3-bromo-4-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60710234
[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-[3-(1-methoxyethenyl)azetidin-1-yl]methanone
CID 143972557
1-(5-chloro-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60706860
1-(2,6-dichloropyridine-4-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60717068

Frequently Asked Questions

What is the IUPAC name of 1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 59492597) is 1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1C(=O)c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is RAZJFNQDIVJDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O3/c1-26(2)20(29)18-8-5-11-27(18)19(28)13-9-10-15-14-6-3-4-7-16(14)21(30,17(15)12-13)22(23,24)25/h3-4,6-7,9-10,12,18,30H,5,8,11H2,1-2H3.
What are the key properties of 1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 418.42 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 59492597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).