1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea

C19H19F3N2O2 — CID 112974787

IUPAC1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(NCCOc1ccc2c(c1)CCC2)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H19F3N2O2/c20-19(21,22)16-6-1-2-7-17(16)24-18(25)23-10-11-26-15-9-8-13-4-3-5-14(13)12-15/h1-2,6-9,12H,3-5,10-11H2,(H2,23,24,25)
InChIKeyUGQUDMPHGUJEGJ-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.39
Rot. Bonds5

About 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea

1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 112974787) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID112974787
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(NCCOc1ccc2c(c1)CCC2)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H19F3N2O2/c20-19(21,22)16-6-1-2-7-17(16)24-18(25)23-10-11-26-15-9-8-13-4-3-5-14(13)12-15/h1-2,6-9,12H,3-5,10-11H2,(H2,23,24,25)
InChIKeyUGQUDMPHGUJEGJ-UHFFFAOYSA-N
XLogP4.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 112978188
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(2-methoxyphenyl)urea
CID 112974776
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-quinolin-8-ylurea
CID 112974813
ethyl 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethylcarbamoylamino]benzoate
CID 112974963
1-[2-(4-tert-butylphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 112972906
1-(2,5-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
CID 112974940
(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 100561674
1-tert-butyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
CID 112974906
methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate
CID 113101472
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1,1,1-trifluoromethanesulfonamide
CID 176697938
1-[(2-methoxyphenyl)methyl]-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
CID 112974871
1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 112971460

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea (CID 112974787) is 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea is O=C(NCCOc1ccc2c(c1)CCC2)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is UGQUDMPHGUJEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c20-19(21,22)16-6-1-2-7-17(16)24-18(25)23-10-11-26-15-9-8-13-4-3-5-14(13)12-15/h1-2,6-9,12H,3-5,10-11H2,(H2,23,24,25).
What are the key properties of 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea?
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 364.37 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 112974787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).