1-(1-bicyclo[1.1.1]pentanyl)-3-[[3-(difluoromethoxy)phenyl]methyl]urea

C14H16F2N2O2 — CID 169150536

IUPAC1-(1-bicyclo[1.1.1]pentanyl)-3-[[3-(difluoromethoxy)phenyl]methyl]urea
SMILESO=C(NCc1cccc(OC(F)F)c1)NC12CC(C1)C2
InChIInChI=1S/C14H16F2N2O2/c15-12(16)20-11-3-1-2-9(4-11)8-17-13(19)18-14-5-10(6-14)7-14/h1-4,10,12H,5-8H2,(H2,17,18,19)
InChIKeyCJSXOVUBQJDHIZ-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.64
Rot. Bonds5

About 1-(1-bicyclo[1.1.1]pentanyl)-3-[[3-(difluoromethoxy)phenyl]methyl]urea

1-(1-bicyclo[1.1.1]pentanyl)-3-[[3-(difluoromethoxy)phenyl]methyl]urea (PubChem CID 169150536) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 1-(1-bicyclo[1.1.1]pentanyl)-3-[[3-(difluoromethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(1-bicyclo[1.1.1]pentanyl)-3-[[3-(difluoromethoxy)phenyl]methyl]urea
PubChem CID169150536
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name1-(1-bicyclo[1.1.1]pentanyl)-3-[[3-(difluoromethoxy)phenyl]methyl]urea
SMILESO=C(NCc1cccc(OC(F)F)c1)NC12CC(C1)C2
InChIInChI=1S/C14H16F2N2O2/c15-12(16)20-11-3-1-2-9(4-11)8-17-13(19)18-14-5-10(6-14)7-14/h1-4,10,12H,5-8H2,(H2,17,18,19)
InChIKeyCJSXOVUBQJDHIZ-UHFFFAOYSA-N
XLogP2.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(1-bicyclo[1.1.1]pentanyl)-3-[[3-(difluoromethoxy)phenyl]methyl]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-(1-adamantyl)-3-[(3-methoxyphenyl)methyl]urea
CID 2982025
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 49467029
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618724
1-amino-N-[[3-(difluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 83316158
1-(1-adamantyl)-3-[3-(difluoromethoxy)phenyl]urea
CID 70694281
1-[[3-(difluoromethoxy)phenyl]methyl]-3-(furan-3-ylmethyl)urea
CID 49479533
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-fluorophenyl)methyl]urea
CID 49467023
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111505510
N-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine
CID 117281301
N-[[3-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119763033
1-(3-methyl-1-bicyclo[1.1.1]pentanyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 169150569
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 49480282

Frequently Asked Questions

What is the IUPAC name of 1-(1-bicyclo[1.1.1]pentanyl)-3-[[3-(difluoromethoxy)phenyl]methyl]urea?
The IUPAC name of 1-(1-bicyclo[1.1.1]pentanyl)-3-[[3-(difluoromethoxy)phenyl]methyl]urea (CID 169150536) is 1-(1-bicyclo[1.1.1]pentanyl)-3-[[3-(difluoromethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-(1-bicyclo[1.1.1]pentanyl)-3-[[3-(difluoromethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-(1-bicyclo[1.1.1]pentanyl)-3-[[3-(difluoromethoxy)phenyl]methyl]urea is O=C(NCc1cccc(OC(F)F)c1)NC12CC(C1)C2.
What is the InChIKey of 1-(1-bicyclo[1.1.1]pentanyl)-3-[[3-(difluoromethoxy)phenyl]methyl]urea?
The InChIKey is CJSXOVUBQJDHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c15-12(16)20-11-3-1-2-9(4-11)8-17-13(19)18-14-5-10(6-14)7-14/h1-4,10,12H,5-8H2,(H2,17,18,19).
What are the key properties of 1-(1-bicyclo[1.1.1]pentanyl)-3-[[3-(difluoromethoxy)phenyl]methyl]urea?
1-(1-bicyclo[1.1.1]pentanyl)-3-[[3-(difluoromethoxy)phenyl]methyl]urea has a molecular weight of 282.29 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bicyclo[1.1.1]pentanyl)-3-[[3-(difluoromethoxy)phenyl]methyl]urea is sourced from PubChem (CID 169150536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).