4-hydroxy-5-oxo-N-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1-(3,3,3-trifluoropropyl)-2H-pyrrole-3-carboxamide

C18H16F6N2O3 — CID 122447914

IUPAC4-hydroxy-5-oxo-N-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1-(3,3,3-trifluoropropyl)-2H-pyrrole-3-carboxamide
SMILESO=C(N[C@@H]1CCc2c1cccc2C(F)(F)F)C1=C(O)C(=O)N(CCC(F)(F)F)C1
InChIInChI=1S/C18H16F6N2O3/c19-17(20,21)6-7-26-8-11(14(27)16(26)29)15(28)25-13-5-4-9-10(13)2-1-3-12(9)18(22,23)24/h1-3,13,27H,4-8H2,(H,25,28)/t13-/m1/s1
InChIKeyGRTRHRGQUZCRTC-CYBMUJFWSA-N
MW422.33 g/mol
LogP3.42
Rot. Bonds4

About 4-hydroxy-5-oxo-N-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1-(3,3,3-trifluoropropyl)-2H-pyrrole-3-carboxamide

4-hydroxy-5-oxo-N-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1-(3,3,3-trifluoropropyl)-2H-pyrrole-3-carboxamide (PubChem CID 122447914) has the molecular formula C18H16F6N2O3 and a molecular weight of 422.33 g/mol. Its IUPAC name is 4-hydroxy-5-oxo-N-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1-(3,3,3-trifluoropropyl)-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-5-oxo-N-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1-(3,3,3-trifluoropropyl)-2H-pyrrole-3-carboxamide
PubChem CID122447914
Molecular FormulaC18H16F6N2O3
Molecular Weight422.33 g/mol
Exact Mass422.11
IUPAC Name4-hydroxy-5-oxo-N-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1-(3,3,3-trifluoropropyl)-2H-pyrrole-3-carboxamide
SMILESO=C(N[C@@H]1CCc2c1cccc2C(F)(F)F)C1=C(O)C(=O)N(CCC(F)(F)F)C1
InChIInChI=1S/C18H16F6N2O3/c19-17(20,21)6-7-26-8-11(14(27)16(26)29)15(28)25-13-5-4-9-10(13)2-1-3-12(9)18(22,23)24/h1-3,13,27H,4-8H2,(H,25,28)/t13-/m1/s1
InChIKeyGRTRHRGQUZCRTC-CYBMUJFWSA-N
XLogP3.42
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.33
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-5-oxo-N-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1-(3,3,3-trifluoropropyl)-2H-pyrrole-3-carboxamide with MolForge

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Related Compounds

4-hydroxy-1-methyl-5-oxo-N-[3-[2-(trifluoromethyl)phenyl]propyl]-2H-pyrrole-3-carboxamide
CID 89489474
4-hydroxy-1-methyl-5-oxo-N-[(1R)-1-[3-[3-(trifluoromethyl)phenyl]phenyl]ethyl]-2H-pyrrole-3-carboxamide
CID 90330565
1-ethyl-4-hydroxy-5-oxo-N-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide
CID 90330607
N-[(1R)-1-[3-(3-fluorophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90330657
2-methoxy-3-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide
CID 86729182
2-hydroxy-3-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide
CID 89480176
N-[4-(4-fluorophenyl)cyclohex-3-en-1-yl]-4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxamide
CID 89480209
4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide
CID 89480277
4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-N-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide
CID 89480279
4-ethoxy-5-oxo-1-(2,2,2-trifluoroethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide
CID 89480381
4-ethoxy-5-oxo-1-(2,2,2-trifluoroethyl)-N-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide
CID 89480382
4-hydroxy-1-methyl-N-[4-[4-methyl-3-(trifluoromethyl)phenyl]butyl]-5-oxo-2H-pyrrole-3-carboxamide
CID 89489369

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-oxo-N-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1-(3,3,3-trifluoropropyl)-2H-pyrrole-3-carboxamide?
The IUPAC name of 4-hydroxy-5-oxo-N-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1-(3,3,3-trifluoropropyl)-2H-pyrrole-3-carboxamide (CID 122447914) is 4-hydroxy-5-oxo-N-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1-(3,3,3-trifluoropropyl)-2H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-hydroxy-5-oxo-N-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1-(3,3,3-trifluoropropyl)-2H-pyrrole-3-carboxamide?
The canonical SMILES for 4-hydroxy-5-oxo-N-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1-(3,3,3-trifluoropropyl)-2H-pyrrole-3-carboxamide is O=C(N[C@@H]1CCc2c1cccc2C(F)(F)F)C1=C(O)C(=O)N(CCC(F)(F)F)C1.
What is the InChIKey of 4-hydroxy-5-oxo-N-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1-(3,3,3-trifluoropropyl)-2H-pyrrole-3-carboxamide?
The InChIKey is GRTRHRGQUZCRTC-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H16F6N2O3/c19-17(20,21)6-7-26-8-11(14(27)16(26)29)15(28)25-13-5-4-9-10(13)2-1-3-12(9)18(22,23)24/h1-3,13,27H,4-8H2,(H,25,28)/t13-/m1/s1.
What are the key properties of 4-hydroxy-5-oxo-N-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1-(3,3,3-trifluoropropyl)-2H-pyrrole-3-carboxamide?
4-hydroxy-5-oxo-N-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1-(3,3,3-trifluoropropyl)-2H-pyrrole-3-carboxamide has a molecular weight of 422.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-oxo-N-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1-(3,3,3-trifluoropropyl)-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 122447914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).