1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-(2-oxabicyclo[4.2.0]octan-7-yl)urea

C16H20ClFN2O2 — CID 91650770

IUPAC1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-(2-oxabicyclo[4.2.0]octan-7-yl)urea
SMILESO=C(NCCc1c(F)cccc1Cl)NC1CC2OCCCC12
InChIInChI=1S/C16H20ClFN2O2/c17-12-4-1-5-13(18)10(12)6-7-19-16(21)20-14-9-15-11(14)3-2-8-22-15/h1,4-5,11,14-15H,2-3,6-9H2,(H2,19,20,21)
InChIKeyWJXAQHVBPOBSSQ-UHFFFAOYSA-N
MW326.80 g/mol
LogP2.89
Rot. Bonds4

About 1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-(2-oxabicyclo[4.2.0]octan-7-yl)urea

1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-(2-oxabicyclo[4.2.0]octan-7-yl)urea (PubChem CID 91650770) has the molecular formula C16H20ClFN2O2 and a molecular weight of 326.80 g/mol. Its IUPAC name is 1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-(2-oxabicyclo[4.2.0]octan-7-yl)urea.

Molecular Properties

Compound Name1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-(2-oxabicyclo[4.2.0]octan-7-yl)urea
PubChem CID91650770
Molecular FormulaC16H20ClFN2O2
Molecular Weight326.80 g/mol
Exact Mass326.12
IUPAC Name1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-(2-oxabicyclo[4.2.0]octan-7-yl)urea
SMILESO=C(NCCc1c(F)cccc1Cl)NC1CC2OCCCC12
InChIInChI=1S/C16H20ClFN2O2/c17-12-4-1-5-13(18)10(12)6-7-19-16(21)20-14-9-15-11(14)3-2-8-22-15/h1,4-5,11,14-15H,2-3,6-9H2,(H2,19,20,21)
InChIKeyWJXAQHVBPOBSSQ-UHFFFAOYSA-N
XLogP2.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-(2-oxabicyclo[4.2.0]octan-7-yl)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-[(1R,6R,7R)-2-oxabicyclo[4.2.0]octan-7-yl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 99830802
1-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-[(1S,6R,7R)-2-oxabicyclo[4.2.0]octan-7-yl]urea
CID 129399452
1-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-[(1S,6S,7R)-2-oxabicyclo[4.2.0]octan-7-yl]urea
CID 99857361
N-[2-(2-chloro-6-fluorophenyl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014979
1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-[(3S)-1-propanoylpyrrolidin-3-yl]urea
CID 97095090
1-[2-(2,6-dichlorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea
CID 3323199
N-[(2-chloro-6-fluorophenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 834224
N-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopentanamine
CID 60984156
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 2969276
1-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-3-[(1R,6R,7R)-2-oxabicyclo[4.2.0]octan-7-yl]urea
CID 99823873
2-(2-chloro-6-fluorophenyl)-1-(oxan-3-yl)ethanone
CID 63013840
2-(2-chloro-6-fluorophenyl)-1-(oxan-2-yl)ethanone
CID 55047758

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-(2-oxabicyclo[4.2.0]octan-7-yl)urea?
The IUPAC name of 1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-(2-oxabicyclo[4.2.0]octan-7-yl)urea (CID 91650770) is 1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-(2-oxabicyclo[4.2.0]octan-7-yl)urea.
What is the SMILES notation for 1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-(2-oxabicyclo[4.2.0]octan-7-yl)urea?
The canonical SMILES for 1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-(2-oxabicyclo[4.2.0]octan-7-yl)urea is O=C(NCCc1c(F)cccc1Cl)NC1CC2OCCCC12.
What is the InChIKey of 1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-(2-oxabicyclo[4.2.0]octan-7-yl)urea?
The InChIKey is WJXAQHVBPOBSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2O2/c17-12-4-1-5-13(18)10(12)6-7-19-16(21)20-14-9-15-11(14)3-2-8-22-15/h1,4-5,11,14-15H,2-3,6-9H2,(H2,19,20,21).
What are the key properties of 1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-(2-oxabicyclo[4.2.0]octan-7-yl)urea?
1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-(2-oxabicyclo[4.2.0]octan-7-yl)urea has a molecular weight of 326.80 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-(2-oxabicyclo[4.2.0]octan-7-yl)urea is sourced from PubChem (CID 91650770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).