4-ethoxy-1-(2-fluoroethyl)-5-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide

C19H20F4N2O3 — CID 122691642

IUPAC4-ethoxy-1-(2-fluoroethyl)-5-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide
SMILESCCOC1=C(C(=O)N[C@@H]2CCc3ccc(C(F)(F)F)cc32)CN(CCF)C1=O
InChIInChI=1S/C19H20F4N2O3/c1-2-28-16-14(10-25(8-7-20)18(16)27)17(26)24-15-6-4-11-3-5-12(9-13(11)15)19(21,22)23/h3,5,9,15H,2,4,6-8,10H2,1H3,(H,24,26)/t15-/m1/s1
InChIKeyZCINAQXLOXLCBB-OAHLLOKOSA-N
MW400.37 g/mol
LogP2.91
Rot. Bonds6

About 4-ethoxy-1-(2-fluoroethyl)-5-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide

4-ethoxy-1-(2-fluoroethyl)-5-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide (PubChem CID 122691642) has the molecular formula C19H20F4N2O3 and a molecular weight of 400.37 g/mol. Its IUPAC name is 4-ethoxy-1-(2-fluoroethyl)-5-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-ethoxy-1-(2-fluoroethyl)-5-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide
PubChem CID122691642
Molecular FormulaC19H20F4N2O3
Molecular Weight400.37 g/mol
Exact Mass400.14
IUPAC Name4-ethoxy-1-(2-fluoroethyl)-5-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide
SMILESCCOC1=C(C(=O)N[C@@H]2CCc3ccc(C(F)(F)F)cc32)CN(CCF)C1=O
InChIInChI=1S/C19H20F4N2O3/c1-2-28-16-14(10-25(8-7-20)18(16)27)17(26)24-15-6-4-11-3-5-12(9-13(11)15)19(21,22)23/h3,5,9,15H,2,4,6-8,10H2,1H3,(H,24,26)/t15-/m1/s1
InChIKeyZCINAQXLOXLCBB-OAHLLOKOSA-N
XLogP2.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethoxy-1-(2-fluoroethyl)-5-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-N-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxamide
CID 90336594
2,3-dioxo-N-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1,5,6,7,8,8a-hexahydroindolizine-1-carboxamide
CID 123537049
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
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 25477471
4-(methanesulfonamido)-N-[(1S)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167189010
N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide
CID 89491077
1-ethyl-4,5-dioxo-N-[(1R)-6-phenyl-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxamide
CID 123305156
N-(2,3-dihydro-1H-inden-1-yl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46082792
4-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 93008783
(3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59505364
2-chloro-N-[6-[8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide
CID 46935783
N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-1-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide
CID 154473217

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(2-fluoroethyl)-5-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide?
The IUPAC name of 4-ethoxy-1-(2-fluoroethyl)-5-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide (CID 122691642) is 4-ethoxy-1-(2-fluoroethyl)-5-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-ethoxy-1-(2-fluoroethyl)-5-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide?
The canonical SMILES for 4-ethoxy-1-(2-fluoroethyl)-5-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide is CCOC1=C(C(=O)N[C@@H]2CCc3ccc(C(F)(F)F)cc32)CN(CCF)C1=O.
What is the InChIKey of 4-ethoxy-1-(2-fluoroethyl)-5-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide?
The InChIKey is ZCINAQXLOXLCBB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20F4N2O3/c1-2-28-16-14(10-25(8-7-20)18(16)27)17(26)24-15-6-4-11-3-5-12(9-13(11)15)19(21,22)23/h3,5,9,15H,2,4,6-8,10H2,1H3,(H,24,26)/t15-/m1/s1.
What are the key properties of 4-ethoxy-1-(2-fluoroethyl)-5-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide?
4-ethoxy-1-(2-fluoroethyl)-5-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide has a molecular weight of 400.37 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(2-fluoroethyl)-5-oxo-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 122691642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).