N-(2-methoxyethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide

C19H19F3N2O3 — CID 42791246

IUPACN-(2-methoxyethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide
SMILESCOCCNC(=O)c1cc2oc(C)cc2n1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O3/c1-12-9-15-17(27-12)10-16(18(25)23-7-8-26-2)24(15)11-13-3-5-14(6-4-13)19(20,21)22/h3-6,9-10H,7-8,11H2,1-2H3,(H,23,25)
InChIKeyZIMHTDMWYGDIDH-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.99
Rot. Bonds6

About N-(2-methoxyethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide

N-(2-methoxyethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 42791246) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide
PubChem CID42791246
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC NameN-(2-methoxyethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide
SMILESCOCCNC(=O)c1cc2oc(C)cc2n1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O3/c1-12-9-15-17(27-12)10-16(18(25)23-7-8-26-2)24(15)11-13-3-5-14(6-4-13)19(20,21)22/h3-6,9-10H,7-8,11H2,1-2H3,(H,23,25)
InChIKeyZIMHTDMWYGDIDH-UHFFFAOYSA-N
XLogP3.99
TPSA56.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-propyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 42791228
N-cyclohexyl-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 42791222
N-(2-methoxyethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46038839
[2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42791225
N-hexyl-4-[(4-methoxyphenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 7499190
4-[(4-bromophenyl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 3577230
4-[(3,4-difluorophenyl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791492
4-[(4-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylic acid
CID 122176392
4-[(3,5-difluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791614
4-[(4-chlorophenyl)methyl]-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 20885172
2-methyl-N-(3-methylbutyl)-4-[(3-nitrophenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 7495335
4-[(2,4-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 7416009

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide (CID 42791246) is N-(2-methoxyethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide is COCCNC(=O)c1cc2oc(C)cc2n1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is ZIMHTDMWYGDIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-12-9-15-17(27-12)10-16(18(25)23-7-8-26-2)24(15)11-13-3-5-14(6-4-13)19(20,21)22/h3-6,9-10H,7-8,11H2,1-2H3,(H,23,25).
What are the key properties of N-(2-methoxyethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide?
N-(2-methoxyethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42791246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).