1-[[1-(1-benzofuran-3-yl)cyclopentyl]methyl]-1-benzyl-3-(2,4,6-trifluorophenyl)urea

C28H25F3N2O2 — CID 139654751

IUPAC1-[[1-(1-benzofuran-3-yl)cyclopentyl]methyl]-1-benzyl-3-(2,4,6-trifluorophenyl)urea
SMILESO=C(Nc1c(F)cc(F)cc1F)N(Cc1ccccc1)CC1(c2coc3ccccc23)CCCC1
InChIInChI=1S/C28H25F3N2O2/c29-20-14-23(30)26(24(31)15-20)32-27(34)33(16-19-8-2-1-3-9-19)18-28(12-6-7-13-28)22-17-35-25-11-5-4-10-21(22)25/h1-5,8-11,14-15,17H,6-7,12-13,16,18H2,(H,32,34)
InChIKeyMNYQPIWOONLVPE-UHFFFAOYSA-N
MW478.51 g/mol
LogP7.40
Rot. Bonds6

About 1-[[1-(1-benzofuran-3-yl)cyclopentyl]methyl]-1-benzyl-3-(2,4,6-trifluorophenyl)urea

1-[[1-(1-benzofuran-3-yl)cyclopentyl]methyl]-1-benzyl-3-(2,4,6-trifluorophenyl)urea (PubChem CID 139654751) has the molecular formula C28H25F3N2O2 and a molecular weight of 478.51 g/mol. Its IUPAC name is 1-[[1-(1-benzofuran-3-yl)cyclopentyl]methyl]-1-benzyl-3-(2,4,6-trifluorophenyl)urea.

Molecular Properties

Compound Name1-[[1-(1-benzofuran-3-yl)cyclopentyl]methyl]-1-benzyl-3-(2,4,6-trifluorophenyl)urea
PubChem CID139654751
Molecular FormulaC28H25F3N2O2
Molecular Weight478.51 g/mol
Exact Mass478.19
IUPAC Name1-[[1-(1-benzofuran-3-yl)cyclopentyl]methyl]-1-benzyl-3-(2,4,6-trifluorophenyl)urea
SMILESO=C(Nc1c(F)cc(F)cc1F)N(Cc1ccccc1)CC1(c2coc3ccccc23)CCCC1
InChIInChI=1S/C28H25F3N2O2/c29-20-14-23(30)26(24(31)15-20)32-27(34)33(16-19-8-2-1-3-9-19)18-28(12-6-7-13-28)22-17-35-25-11-5-4-10-21(22)25/h1-5,8-11,14-15,17H,6-7,12-13,16,18H2,(H,32,34)
InChIKeyMNYQPIWOONLVPE-UHFFFAOYSA-N
XLogP7.40
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.51
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[[1-(1-benzofuran-3-yl)cyclopentyl]methyl]-1-benzyl-3-(2,4,6-trifluorophenyl)urea with MolForge

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Related Compounds

[1-(1-benzofuran-3-yl)cyclobutyl]methanol
CID 116963820
[1-(1-benzofuran-3-yl)cyclopentyl]methanamine
CID 82613639
3-(3-fluorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(4-oxochromen-3-yl)methyl]urea
CID 42783945
1,1-dibenzyl-3-(2-chloro-6-fluorophenyl)urea
CID 108896524
1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea
CID 108989059
1-benzyl-1-[[1-(4-nitrophenyl)pyrrol-2-yl]methyl]-3-(2,4,6-trifluorophenyl)urea
CID 139657080
N-(1-benzofuran-3-ylmethyl)-2,4,6-trifluoroaniline
CID 80701760
1-benzyl-1-ethyl-3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylurea
CID 47032879
1-benzyl-1-(2-cyanoethyl)-3-(2,6-difluorophenyl)urea
CID 3325886
1-benzyl-3-(3,4-difluorophenyl)-1-ethylurea
CID 108989076
2-(1-benzofuran-3-yl)-N-benzyl-N-methylacetamide
CID 110851126
N-[(4-fluorophenyl)methyl]-N-[(4-oxochromen-3-yl)methyl]cyclopentanecarboxamide
CID 7271249

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(1-benzofuran-3-yl)cyclopentyl]methyl]-1-benzyl-3-(2,4,6-trifluorophenyl)urea?
The IUPAC name of 1-[[1-(1-benzofuran-3-yl)cyclopentyl]methyl]-1-benzyl-3-(2,4,6-trifluorophenyl)urea (CID 139654751) is 1-[[1-(1-benzofuran-3-yl)cyclopentyl]methyl]-1-benzyl-3-(2,4,6-trifluorophenyl)urea.
What is the SMILES notation for 1-[[1-(1-benzofuran-3-yl)cyclopentyl]methyl]-1-benzyl-3-(2,4,6-trifluorophenyl)urea?
The canonical SMILES for 1-[[1-(1-benzofuran-3-yl)cyclopentyl]methyl]-1-benzyl-3-(2,4,6-trifluorophenyl)urea is O=C(Nc1c(F)cc(F)cc1F)N(Cc1ccccc1)CC1(c2coc3ccccc23)CCCC1.
What is the InChIKey of 1-[[1-(1-benzofuran-3-yl)cyclopentyl]methyl]-1-benzyl-3-(2,4,6-trifluorophenyl)urea?
The InChIKey is MNYQPIWOONLVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N2O2/c29-20-14-23(30)26(24(31)15-20)32-27(34)33(16-19-8-2-1-3-9-19)18-28(12-6-7-13-28)22-17-35-25-11-5-4-10-21(22)25/h1-5,8-11,14-15,17H,6-7,12-13,16,18H2,(H,32,34).
What are the key properties of 1-[[1-(1-benzofuran-3-yl)cyclopentyl]methyl]-1-benzyl-3-(2,4,6-trifluorophenyl)urea?
1-[[1-(1-benzofuran-3-yl)cyclopentyl]methyl]-1-benzyl-3-(2,4,6-trifluorophenyl)urea has a molecular weight of 478.51 g/mol, XLogP of 7.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(1-benzofuran-3-yl)cyclopentyl]methyl]-1-benzyl-3-(2,4,6-trifluorophenyl)urea is sourced from PubChem (CID 139654751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).