4-acetyl-N,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide

C18H19F3N2O3 — CID 38258314

IUPAC4-acetyl-N,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccccc2OC(F)(F)F)c1C
InChIInChI=1S/C18H19F3N2O3/c1-10-15(12(3)24)11(2)22-16(10)17(25)23(4)9-13-7-5-6-8-14(13)26-18(19,20)21/h5-8,22H,9H2,1-4H3
InChIKeyXTSXZKHSSSPTSI-UHFFFAOYSA-N
MW368.36 g/mol
LogP4.00
Rot. Bonds5

About 4-acetyl-N,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide

4-acetyl-N,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 38258314) has the molecular formula C18H19F3N2O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is 4-acetyl-N,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID38258314
Molecular FormulaC18H19F3N2O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC Name4-acetyl-N,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccccc2OC(F)(F)F)c1C
InChIInChI=1S/C18H19F3N2O3/c1-10-15(12(3)24)11(2)22-16(10)17(25)23(4)9-13-7-5-6-8-14(13)26-18(19,20)21/h5-8,22H,9H2,1-4H3
InChIKeyXTSXZKHSSSPTSI-UHFFFAOYSA-N
XLogP4.00
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide (CID 38258314) is 4-acetyl-N,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccccc2OC(F)(F)F)c1C.
What is the InChIKey of 4-acetyl-N,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is XTSXZKHSSSPTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3/c1-10-15(12(3)24)11(2)22-16(10)17(25)23(4)9-13-7-5-6-8-14(13)26-18(19,20)21/h5-8,22H,9H2,1-4H3.
What are the key properties of 4-acetyl-N,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide?
4-acetyl-N,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 38258314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).