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

C19H21F3N2O3 — CID 90336594

IUPAC4-ethoxy-N-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxamide
SMILESCCOC1=C(C(=O)N[C@@H]2CCc3ccc(C)cc32)CN(CC(F)(F)F)C1=O
InChIInChI=1S/C19H21F3N2O3/c1-3-27-16-14(9-24(18(16)26)10-19(20,21)22)17(25)23-15-7-6-12-5-4-11(2)8-13(12)15/h4-5,8,15H,3,6-7,9-10H2,1-2H3,(H,23,25)/t15-/m1/s1
InChIKeyUNGLSHYZJUGXTR-OAHLLOKOSA-N
MW382.38 g/mol
LogP2.79
Rot. Bonds5

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

4-ethoxy-N-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxamide (PubChem CID 90336594) has the molecular formula C19H21F3N2O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is 4-ethoxy-N-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-ethoxy-N-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxamide
PubChem CID90336594
Molecular FormulaC19H21F3N2O3
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC Name4-ethoxy-N-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxamide
SMILESCCOC1=C(C(=O)N[C@@H]2CCc3ccc(C)cc32)CN(CC(F)(F)F)C1=O
InChIInChI=1S/C19H21F3N2O3/c1-3-27-16-14(9-24(18(16)26)10-19(20,21)22)17(25)23-15-7-6-12-5-4-11(2)8-13(12)15/h4-5,8,15H,3,6-7,9-10H2,1-2H3,(H,23,25)/t15-/m1/s1
InChIKeyUNGLSHYZJUGXTR-OAHLLOKOSA-N
XLogP2.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethoxy-N-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)-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

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxamide?
The IUPAC name of 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) is 4-ethoxy-N-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-ethoxy-N-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxamide?
The canonical SMILES for 4-ethoxy-N-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxamide is CCOC1=C(C(=O)N[C@@H]2CCc3ccc(C)cc32)CN(CC(F)(F)F)C1=O.
What is the InChIKey of 4-ethoxy-N-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxamide?
The InChIKey is UNGLSHYZJUGXTR-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21F3N2O3/c1-3-27-16-14(9-24(18(16)26)10-19(20,21)22)17(25)23-15-7-6-12-5-4-11(2)8-13(12)15/h4-5,8,15H,3,6-7,9-10H2,1-2H3,(H,23,25)/t15-/m1/s1.
What are the key properties of 4-ethoxy-N-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxamide?
4-ethoxy-N-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxamide has a molecular weight of 382.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 90336594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).