1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide

C23H21F3N2O — CID 3678058

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
SMILESCc1c(C(N)=O)c(-c2ccc(C(F)(F)F)cc2)c(C)n1C1CCc2ccccc21
InChIInChI=1S/C23H21F3N2O/c1-13-20(16-7-10-17(11-8-16)23(24,25)26)21(22(27)29)14(2)28(13)19-12-9-15-5-3-4-6-18(15)19/h3-8,10-11,19H,9,12H2,1-2H3,(H2,27,29)
InChIKeyKNHYDBGKEIMGQP-UHFFFAOYSA-N
MW398.43 g/mol
LogP5.43
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide

1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide (PubChem CID 3678058) has the molecular formula C23H21F3N2O and a molecular weight of 398.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
PubChem CID3678058
Molecular FormulaC23H21F3N2O
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
SMILESCc1c(C(N)=O)c(-c2ccc(C(F)(F)F)cc2)c(C)n1C1CCc2ccccc21
InChIInChI=1S/C23H21F3N2O/c1-13-20(16-7-10-17(11-8-16)23(24,25)26)21(22(27)29)14(2)28(13)19-12-9-15-5-3-4-6-18(15)19/h3-8,10-11,19H,9,12H2,1-2H3,(H2,27,29)
InChIKeyKNHYDBGKEIMGQP-UHFFFAOYSA-N
XLogP5.43
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.43
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-pyridin-3-ylpyrrole-3-carboxamide
CID 3679809
methyl 4-[4-carbamoyl-1-(2,3-dihydro-1H-inden-1-yl)-5-methyl-2-pentylpyrrol-3-yl]benzoate
CID 3745783
1-(2,3-dihydro-1H-inden-1-yl)-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide
CID 3607365
4-(4-cyanophenyl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide
CID 3812558
1-butyl-5-ethyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3773578
2-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 140712238
1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3685628
N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52826507
N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52826506
4-(4-acetylphenyl)-2-(2-nitrophenyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 175523658
N-(2,3-dihydro-1H-inden-1-yl)-2-[7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide
CID 50927003
2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 171702388

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide (CID 3678058) is 1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide is Cc1c(C(N)=O)c(-c2ccc(C(F)(F)F)cc2)c(C)n1C1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The InChIKey is KNHYDBGKEIMGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O/c1-13-20(16-7-10-17(11-8-16)23(24,25)26)21(22(27)29)14(2)28(13)19-12-9-15-5-3-4-6-18(15)19/h3-8,10-11,19H,9,12H2,1-2H3,(H2,27,29).
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide has a molecular weight of 398.43 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide is sourced from PubChem (CID 3678058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).