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

C22H23F3N2O2 — CID 42791222

IUPACN-cyclohexyl-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2c(cc(C(=O)NC3CCCCC3)n2Cc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C22H23F3N2O2/c1-14-11-18-20(29-14)12-19(21(28)26-17-5-3-2-4-6-17)27(18)13-15-7-9-16(10-8-15)22(23,24)25/h7-12,17H,2-6,13H2,1H3,(H,26,28)
InChIKeyJTQWWQSGCWJRFD-UHFFFAOYSA-N
MW404.43 g/mol
LogP5.67
Rot. Bonds4

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

N-cyclohexyl-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 42791222) has the molecular formula C22H23F3N2O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide
PubChem CID42791222
Molecular FormulaC22H23F3N2O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC NameN-cyclohexyl-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2c(cc(C(=O)NC3CCCCC3)n2Cc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C22H23F3N2O2/c1-14-11-18-20(29-14)12-19(21(28)26-17-5-3-2-4-6-17)27(18)13-15-7-9-16(10-8-15)22(23,24)25/h7-12,17H,2-6,13H2,1H3,(H,26,28)
InChIKeyJTQWWQSGCWJRFD-UHFFFAOYSA-N
XLogP5.67
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.43
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-(2-methoxyethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 42791246
[2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42791225
N-(1-benzylpiperidin-4-yl)-4-[(3,5-difluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 42791623
N-cyclopropyl-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46038846
4-[(4-bromophenyl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 3577230
4-[(4-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylic acid
CID 122176392
N-[1-(3-aminopropyl)piperidin-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
CID 167313753
N-cyclooctyl-10-[(4-fluorophenyl)methyl]-4,11-dimethyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 22521888
(11S)-N-cyclohexyl-10-[(4-fluorophenyl)methyl]-4,11-dimethyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92903464
(4-benzylpiperazin-1-yl)-[2-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrol-5-yl]methanone
CID 42791548
10-[(4-chlorophenyl)methyl]-N-cyclooctyl-4,11-dimethyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 22521874

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-cyclohexyl-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide (CID 42791222) is N-cyclohexyl-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide is Cc1cc2c(cc(C(=O)NC3CCCCC3)n2Cc2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of N-cyclohexyl-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is JTQWWQSGCWJRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O2/c1-14-11-18-20(29-14)12-19(21(28)26-17-5-3-2-4-6-17)27(18)13-15-7-9-16(10-8-15)22(23,24)25/h7-12,17H,2-6,13H2,1H3,(H,26,28).
What are the key properties of N-cyclohexyl-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide?
N-cyclohexyl-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42791222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).