N,N-diethyl-1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]azetidine-3-carboxamide

C23H23F3N2O3 — CID 59492542

IUPACN,N-diethyl-1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]azetidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CN(C(=O)c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)C1
InChIInChI=1S/C23H23F3N2O3/c1-3-27(4-2)21(30)15-12-28(13-15)20(29)14-9-10-17-16-7-5-6-8-18(16)22(31,19(17)11-14)23(24,25)26/h5-11,15,31H,3-4,12-13H2,1-2H3
InChIKeyQZGHXPYESMEKRT-UHFFFAOYSA-N
MW432.44 g/mol
LogP3.41
Rot. Bonds4

About N,N-diethyl-1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]azetidine-3-carboxamide

N,N-diethyl-1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]azetidine-3-carboxamide (PubChem CID 59492542) has the molecular formula C23H23F3N2O3 and a molecular weight of 432.44 g/mol. Its IUPAC name is N,N-diethyl-1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]azetidine-3-carboxamide
PubChem CID59492542
Molecular FormulaC23H23F3N2O3
Molecular Weight432.44 g/mol
Exact Mass432.17
IUPAC NameN,N-diethyl-1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]azetidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CN(C(=O)c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)C1
InChIInChI=1S/C23H23F3N2O3/c1-3-27(4-2)21(30)15-12-28(13-15)20(29)14-9-10-17-16-7-5-6-8-18(16)22(31,19(17)11-14)23(24,25)26/h5-11,15,31H,3-4,12-13H2,1-2H3
InChIKeyQZGHXPYESMEKRT-UHFFFAOYSA-N
XLogP3.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]azetidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]azetidine-3-carboxamide (CID 59492542) is N,N-diethyl-1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]azetidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]azetidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]azetidine-3-carboxamide is CCN(CC)C(=O)C1CN(C(=O)c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)C1.
What is the InChIKey of N,N-diethyl-1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]azetidine-3-carboxamide?
The InChIKey is QZGHXPYESMEKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O3/c1-3-27(4-2)21(30)15-12-28(13-15)20(29)14-9-10-17-16-7-5-6-8-18(16)22(31,19(17)11-14)23(24,25)26/h5-11,15,31H,3-4,12-13H2,1-2H3.
What are the key properties of N,N-diethyl-1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]azetidine-3-carboxamide?
N,N-diethyl-1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]azetidine-3-carboxamide has a molecular weight of 432.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]azetidine-3-carboxamide is sourced from PubChem (CID 59492542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).