9-ethyl-2-methyl-3-[[2-(trifluoromethyl)pyrrol-1-yl]methyl]-2,3-dihydro-1H-carbazol-4-one

C21H21F3N2O — CID 175483174

IUPAC9-ethyl-2-methyl-3-[[2-(trifluoromethyl)pyrrol-1-yl]methyl]-2,3-dihydro-1H-carbazol-4-one
SMILESCCn1c2c(c3ccccc31)C(=O)C(Cn1cccc1C(F)(F)F)C(C)C2
InChIInChI=1S/C21H21F3N2O/c1-3-26-16-8-5-4-7-14(16)19-17(26)11-13(2)15(20(19)27)12-25-10-6-9-18(25)21(22,23)24/h4-10,13,15H,3,11-12H2,1-2H3
InChIKeyXFSZKMGSDWKPOC-UHFFFAOYSA-N
MW374.41 g/mol
LogP5.17
Rot. Bonds3

About 9-ethyl-2-methyl-3-[[2-(trifluoromethyl)pyrrol-1-yl]methyl]-2,3-dihydro-1H-carbazol-4-one

9-ethyl-2-methyl-3-[[2-(trifluoromethyl)pyrrol-1-yl]methyl]-2,3-dihydro-1H-carbazol-4-one (PubChem CID 175483174) has the molecular formula C21H21F3N2O and a molecular weight of 374.41 g/mol. Its IUPAC name is 9-ethyl-2-methyl-3-[[2-(trifluoromethyl)pyrrol-1-yl]methyl]-2,3-dihydro-1H-carbazol-4-one.

Molecular Properties

Compound Name9-ethyl-2-methyl-3-[[2-(trifluoromethyl)pyrrol-1-yl]methyl]-2,3-dihydro-1H-carbazol-4-one
PubChem CID175483174
Molecular FormulaC21H21F3N2O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name9-ethyl-2-methyl-3-[[2-(trifluoromethyl)pyrrol-1-yl]methyl]-2,3-dihydro-1H-carbazol-4-one
SMILESCCn1c2c(c3ccccc31)C(=O)C(Cn1cccc1C(F)(F)F)C(C)C2
InChIInChI=1S/C21H21F3N2O/c1-3-26-16-8-5-4-7-14(16)19-17(26)11-13(2)15(20(19)27)12-25-10-6-9-18(25)21(22,23)24/h4-10,13,15H,3,11-12H2,1-2H3
InChIKeyXFSZKMGSDWKPOC-UHFFFAOYSA-N
XLogP5.17
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.41
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-ethyl-2-methyl-3-[[2-(trifluoromethyl)pyrrol-1-yl]methyl]-2,3-dihydro-1H-carbazol-4-one 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 9-ethyl-2-methyl-3-[[2-(trifluoromethyl)pyrrol-1-yl]methyl]-2,3-dihydro-1H-carbazol-4-one?
The IUPAC name of 9-ethyl-2-methyl-3-[[2-(trifluoromethyl)pyrrol-1-yl]methyl]-2,3-dihydro-1H-carbazol-4-one (CID 175483174) is 9-ethyl-2-methyl-3-[[2-(trifluoromethyl)pyrrol-1-yl]methyl]-2,3-dihydro-1H-carbazol-4-one.
What is the SMILES notation for 9-ethyl-2-methyl-3-[[2-(trifluoromethyl)pyrrol-1-yl]methyl]-2,3-dihydro-1H-carbazol-4-one?
The canonical SMILES for 9-ethyl-2-methyl-3-[[2-(trifluoromethyl)pyrrol-1-yl]methyl]-2,3-dihydro-1H-carbazol-4-one is CCn1c2c(c3ccccc31)C(=O)C(Cn1cccc1C(F)(F)F)C(C)C2.
What is the InChIKey of 9-ethyl-2-methyl-3-[[2-(trifluoromethyl)pyrrol-1-yl]methyl]-2,3-dihydro-1H-carbazol-4-one?
The InChIKey is XFSZKMGSDWKPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O/c1-3-26-16-8-5-4-7-14(16)19-17(26)11-13(2)15(20(19)27)12-25-10-6-9-18(25)21(22,23)24/h4-10,13,15H,3,11-12H2,1-2H3.
What are the key properties of 9-ethyl-2-methyl-3-[[2-(trifluoromethyl)pyrrol-1-yl]methyl]-2,3-dihydro-1H-carbazol-4-one?
9-ethyl-2-methyl-3-[[2-(trifluoromethyl)pyrrol-1-yl]methyl]-2,3-dihydro-1H-carbazol-4-one has a molecular weight of 374.41 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-2-methyl-3-[[2-(trifluoromethyl)pyrrol-1-yl]methyl]-2,3-dihydro-1H-carbazol-4-one is sourced from PubChem (CID 175483174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).