N-(2,3-dihydro-1H-inden-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide

C25H22F4N2O2 — CID 58007596

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
SMILESO=C(C(O)c1ccc(F)cc1)N(CCc1ccc(C(F)(F)F)nc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C25H22F4N2O2/c26-20-8-5-18(6-9-20)23(32)24(33)31(21-10-7-17-2-1-3-19(17)14-21)13-12-16-4-11-22(30-15-16)25(27,28)29/h4-11,14-15,23,32H,1-3,12-13H2
InChIKeyYGYGTEKRSUSDOR-UHFFFAOYSA-N
MW458.46 g/mol
LogP5.04
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide (PubChem CID 58007596) has the molecular formula C25H22F4N2O2 and a molecular weight of 458.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
PubChem CID58007596
Molecular FormulaC25H22F4N2O2
Molecular Weight458.46 g/mol
Exact Mass458.16
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
SMILESO=C(C(O)c1ccc(F)cc1)N(CCc1ccc(C(F)(F)F)nc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C25H22F4N2O2/c26-20-8-5-18(6-9-20)23(32)24(33)31(21-10-7-17-2-1-3-19(17)14-21)13-12-16-4-11-22(30-15-16)25(27,28)29/h4-11,14-15,23,32H,1-3,12-13H2
InChIKeyYGYGTEKRSUSDOR-UHFFFAOYSA-N
XLogP5.04
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.46
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide (CID 58007596) is N-(2,3-dihydro-1H-inden-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide is O=C(C(O)c1ccc(F)cc1)N(CCc1ccc(C(F)(F)F)nc1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
The InChIKey is YGYGTEKRSUSDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N2O2/c26-20-8-5-18(6-9-20)23(32)24(33)31(21-10-7-17-2-1-3-19(17)14-21)13-12-16-4-11-22(30-15-16)25(27,28)29/h4-11,14-15,23,32H,1-3,12-13H2.
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide has a molecular weight of 458.46 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 58007596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).