1-[2-(difluoromethoxy)phenyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea

C18H22F2N2O2 — CID 112824538

IUPAC1-[2-(difluoromethoxy)phenyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea
SMILESO=C(Nc1ccccc1OC(F)F)NC1CC2CC1C1CCCC21
InChIInChI=1S/C18H22F2N2O2/c19-17(20)24-16-7-2-1-6-14(16)21-18(23)22-15-9-10-8-13(15)12-5-3-4-11(10)12/h1-2,6-7,10-13,15,17H,3-5,8-9H2,(H2,21,22,23)
InChIKeySELHUBCNLPHNKX-UHFFFAOYSA-N
MW336.38 g/mol
LogP4.23
Rot. Bonds4

About 1-[2-(difluoromethoxy)phenyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea

1-[2-(difluoromethoxy)phenyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea (PubChem CID 112824538) has the molecular formula C18H22F2N2O2 and a molecular weight of 336.38 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea
PubChem CID112824538
Molecular FormulaC18H22F2N2O2
Molecular Weight336.38 g/mol
Exact Mass336.16
IUPAC Name1-[2-(difluoromethoxy)phenyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea
SMILESO=C(Nc1ccccc1OC(F)F)NC1CC2CC1C1CCCC21
InChIInChI=1S/C18H22F2N2O2/c19-17(20)24-16-7-2-1-6-14(16)21-18(23)22-15-9-10-8-13(15)12-5-3-4-11(10)12/h1-2,6-7,10-13,15,17H,3-5,8-9H2,(H2,21,22,23)
InChIKeySELHUBCNLPHNKX-UHFFFAOYSA-N
XLogP4.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[2-(difluoromethoxy)phenyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)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

2-(2-fluorophenyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
CID 124794619
1-(2-hydroxycyclohexyl)-3-(2-propan-2-yloxyphenyl)urea
CID 110933007
2-cyclohexyl-N-[2-(difluoromethoxy)phenyl]acetamide
CID 112793238
N-[2-(difluoromethoxy)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide
CID 51243860
2-chloro-N-[[2-(difluoromethoxy)phenyl]carbamoyl]propanamide
CID 43329114
N-[2-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110880153
2-(cyclopropylmethoxy)-N-[2-(difluoromethoxy)phenyl]propanamide
CID 86846916
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 18532249
(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
CID 61147422
N-[2-(difluoromethoxy)phenyl]-2,2,3,3-tetrafluoropropanamide
CID 103732374
2-(2-nitrophenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
CID 124780220
1-(2-aminocyclopentyl)-3-(2-methoxyphenyl)urea
CID 63251747

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea (CID 112824538) is 1-[2-(difluoromethoxy)phenyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea is O=C(Nc1ccccc1OC(F)F)NC1CC2CC1C1CCCC21.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea?
The InChIKey is SELHUBCNLPHNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O2/c19-17(20)24-16-7-2-1-6-14(16)21-18(23)22-15-9-10-8-13(15)12-5-3-4-11(10)12/h1-2,6-7,10-13,15,17H,3-5,8-9H2,(H2,21,22,23).
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea?
1-[2-(difluoromethoxy)phenyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea has a molecular weight of 336.38 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea is sourced from PubChem (CID 112824538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).