1-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-3-[2-(3-fluorophenyl)cyclopropyl]urea

C18H23FN2O2 — CID 86770949

IUPAC1-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-3-[2-(3-fluorophenyl)cyclopropyl]urea
SMILESO=C(NC1CC1c1cccc(F)c1)NC1CCCC2OCCC12
InChIInChI=1S/C18H23FN2O2/c19-12-4-1-3-11(9-12)14-10-16(14)21-18(22)20-15-5-2-6-17-13(15)7-8-23-17/h1,3-4,9,13-17H,2,5-8,10H2,(H2,20,21,22)
InChIKeyGKRNLBDCAXEKTB-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.94
Rot. Bonds3

About 1-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-3-[2-(3-fluorophenyl)cyclopropyl]urea

1-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-3-[2-(3-fluorophenyl)cyclopropyl]urea (PubChem CID 86770949) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 1-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-3-[2-(3-fluorophenyl)cyclopropyl]urea.

Molecular Properties

Compound Name1-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-3-[2-(3-fluorophenyl)cyclopropyl]urea
PubChem CID86770949
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name1-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-3-[2-(3-fluorophenyl)cyclopropyl]urea
SMILESO=C(NC1CC1c1cccc(F)c1)NC1CCCC2OCCC12
InChIInChI=1S/C18H23FN2O2/c19-12-4-1-3-11(9-12)14-10-16(14)21-18(22)20-15-5-2-6-17-13(15)7-8-23-17/h1,3-4,9,13-17H,2,5-8,10H2,(H2,20,21,22)
InChIKeyGKRNLBDCAXEKTB-UHFFFAOYSA-N
XLogP2.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-3-[2-(3-fluorophenyl)cyclopropyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-Fluorophenyl)cyclopropyl]-3-(oxolan-2-ylmethyl)urea
CID 72145203
1-[2-(2,4-Difluorophenyl)cyclopropyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 84587197
1-[2-(3,4-Difluorophenyl)-2-methylcyclopropyl]-3-[(2,2-dimethyloxolan-3-yl)methyl]urea
CID 136552543
1-Cyclohexyl-1-(cyclopropylmethyl)-3-[(4-fluorophenyl)-(oxolan-2-yl)methyl]urea
CID 60234611
1-[[1-(4-Fluorophenyl)cyclopropyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 75379966
1-[2-(2,6-Difluorophenyl)cyclopropyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 75380000
1-[1-(3-Fluorophenyl)propan-2-yl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 75380001
1-[[1-(2-Fluorophenyl)cyclopropyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 75380003
1-[[1-(3-Fluorophenyl)cyclopropyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 75380011
1-[2-(3,4-Difluorophenyl)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 75380026
1-[Cyclopropyl-(2,5-difluorophenyl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 75380027
1-(7-Oxabicyclo[2.2.1]heptan-2-yl)-3-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]urea
CID 75426474

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-3-[2-(3-fluorophenyl)cyclopropyl]urea?
The IUPAC name of 1-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-3-[2-(3-fluorophenyl)cyclopropyl]urea (CID 86770949) is 1-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-3-[2-(3-fluorophenyl)cyclopropyl]urea.
What is the SMILES notation for 1-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-3-[2-(3-fluorophenyl)cyclopropyl]urea?
The canonical SMILES for 1-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-3-[2-(3-fluorophenyl)cyclopropyl]urea is O=C(NC1CC1c1cccc(F)c1)NC1CCCC2OCCC12.
What is the InChIKey of 1-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-3-[2-(3-fluorophenyl)cyclopropyl]urea?
The InChIKey is GKRNLBDCAXEKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c19-12-4-1-3-11(9-12)14-10-16(14)21-18(22)20-15-5-2-6-17-13(15)7-8-23-17/h1,3-4,9,13-17H,2,5-8,10H2,(H2,20,21,22).
What are the key properties of 1-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-3-[2-(3-fluorophenyl)cyclopropyl]urea?
1-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-3-[2-(3-fluorophenyl)cyclopropyl]urea has a molecular weight of 318.39 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-3-[2-(3-fluorophenyl)cyclopropyl]urea is sourced from PubChem (CID 86770949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).