1-(1-bicyclo[4.1.0]heptanylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea

C17H21F3N2O2 — CID 166351575

IUPAC1-(1-bicyclo[4.1.0]heptanylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
SMILESO=C(NCc1ccccc1OC(F)(F)F)NCC12CCCCC1C2
InChIInChI=1S/C17H21F3N2O2/c18-17(19,20)24-14-7-2-1-5-12(14)10-21-15(23)22-11-16-8-4-3-6-13(16)9-16/h1-2,5,7,13H,3-4,6,8-11H2,(H2,21,22,23)
InChIKeyQBCVJKFBNDIOFL-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.96
Rot. Bonds5

About 1-(1-bicyclo[4.1.0]heptanylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea

1-(1-bicyclo[4.1.0]heptanylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea (PubChem CID 166351575) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 1-(1-bicyclo[4.1.0]heptanylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(1-bicyclo[4.1.0]heptanylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
PubChem CID166351575
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name1-(1-bicyclo[4.1.0]heptanylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
SMILESO=C(NCc1ccccc1OC(F)(F)F)NCC12CCCCC1C2
InChIInChI=1S/C17H21F3N2O2/c18-17(19,20)24-14-7-2-1-5-12(14)10-21-15(23)22-11-16-8-4-3-6-13(16)9-16/h1-2,5,7,13H,3-4,6,8-11H2,(H2,21,22,23)
InChIKeyQBCVJKFBNDIOFL-UHFFFAOYSA-N
XLogP3.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(1-bicyclo[4.1.0]heptanylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea with MolForge

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Related Compounds

1-(2-hydroxycyclohexyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 110933206
1-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 146134402
1-[(1,1-dioxothian-3-yl)methyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 166199992
1-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119275621
1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679
N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-2-carboxamide
CID 61254583
1-(3-methylcyclohexyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 166180379
1-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 63932476
(2S)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 61253216
3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63141242
2-[(4aR,8aS)-1,1-dioxo-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 100897065
2-[(4aR,8aR)-1,1-dioxo-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 100897063

Frequently Asked Questions

What is the IUPAC name of 1-(1-bicyclo[4.1.0]heptanylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea?
The IUPAC name of 1-(1-bicyclo[4.1.0]heptanylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea (CID 166351575) is 1-(1-bicyclo[4.1.0]heptanylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-(1-bicyclo[4.1.0]heptanylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-(1-bicyclo[4.1.0]heptanylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea is O=C(NCc1ccccc1OC(F)(F)F)NCC12CCCCC1C2.
What is the InChIKey of 1-(1-bicyclo[4.1.0]heptanylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea?
The InChIKey is QBCVJKFBNDIOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c18-17(19,20)24-14-7-2-1-5-12(14)10-21-15(23)22-11-16-8-4-3-6-13(16)9-16/h1-2,5,7,13H,3-4,6,8-11H2,(H2,21,22,23).
What are the key properties of 1-(1-bicyclo[4.1.0]heptanylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea?
1-(1-bicyclo[4.1.0]heptanylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea has a molecular weight of 342.36 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bicyclo[4.1.0]heptanylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea is sourced from PubChem (CID 166351575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).