1-cycloheptyl-3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]urea

C17H23F3N2O3 — CID 112825817

IUPAC1-cycloheptyl-3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]urea
SMILESCOc1ccc(NC(=O)NC2CCCCCC2)cc1OCC(F)(F)F
InChIInChI=1S/C17H23F3N2O3/c1-24-14-9-8-13(10-15(14)25-11-17(18,19)20)22-16(23)21-12-6-4-2-3-5-7-12/h8-10,12H,2-7,11H2,1H3,(H2,21,22,23)
InChIKeyHPIXRKHZFTYAIL-UHFFFAOYSA-N
MW360.38 g/mol
LogP4.48
Rot. Bonds5

About 1-cycloheptyl-3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]urea

1-cycloheptyl-3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]urea (PubChem CID 112825817) has the molecular formula C17H23F3N2O3 and a molecular weight of 360.38 g/mol. Its IUPAC name is 1-cycloheptyl-3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]urea.

Molecular Properties

Compound Name1-cycloheptyl-3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]urea
PubChem CID112825817
Molecular FormulaC17H23F3N2O3
Molecular Weight360.38 g/mol
Exact Mass360.17
IUPAC Name1-cycloheptyl-3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]urea
SMILESCOc1ccc(NC(=O)NC2CCCCCC2)cc1OCC(F)(F)F
InChIInChI=1S/C17H23F3N2O3/c1-24-14-9-8-13(10-15(14)25-11-17(18,19)20)22-16(23)21-12-6-4-2-3-5-7-12/h8-10,12H,2-7,11H2,1H3,(H2,21,22,23)
InChIKeyHPIXRKHZFTYAIL-UHFFFAOYSA-N
XLogP4.48
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzylpiperidin-4-yl)-3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 112825822
1-cyclohexyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea
CID 134039305
2-cyclohexyl-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-1-carboxamide
CID 112838363
1-cyclopentyl-3-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]urea
CID 60612121
N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide
CID 119286140
1-(cyclohexylcarbamothioylamino)-3-(3,4-dimethoxyphenyl)urea
CID 1295411
2-(cyclohexylcarbamoylamino)-N-(3,4-dimethoxyphenyl)acetamide
CID 112999302
3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide
CID 119717609
1-cyclobutyl-3-(4-methoxy-3-methylphenyl)urea
CID 115617939
1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-(5-methylhexan-2-yl)urea
CID 112825815
2-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-2-methylpropanamide
CID 119286134
N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 4120812

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]urea?
The IUPAC name of 1-cycloheptyl-3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]urea (CID 112825817) is 1-cycloheptyl-3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]urea.
What is the SMILES notation for 1-cycloheptyl-3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]urea?
The canonical SMILES for 1-cycloheptyl-3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]urea is COc1ccc(NC(=O)NC2CCCCCC2)cc1OCC(F)(F)F.
What is the InChIKey of 1-cycloheptyl-3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]urea?
The InChIKey is HPIXRKHZFTYAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O3/c1-24-14-9-8-13(10-15(14)25-11-17(18,19)20)22-16(23)21-12-6-4-2-3-5-7-12/h8-10,12H,2-7,11H2,1H3,(H2,21,22,23).
What are the key properties of 1-cycloheptyl-3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]urea?
1-cycloheptyl-3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]urea has a molecular weight of 360.38 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]urea is sourced from PubChem (CID 112825817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).