1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea

C21H23F3N2O2 — CID 166180605

IUPAC1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea
SMILESCC(Cc1ccc(C(F)(F)F)cc1)NC(=O)NCC1(O)CCc2ccccc21
InChIInChI=1S/C21H23F3N2O2/c1-14(12-15-6-8-17(9-7-15)21(22,23)24)26-19(27)25-13-20(28)11-10-16-4-2-3-5-18(16)20/h2-9,14,28H,10-13H2,1H3,(H2,25,26,27)
InChIKeyQCFZCLVVIULJTO-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.77
Rot. Bonds5

About 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea

1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea (PubChem CID 166180605) has the molecular formula C21H23F3N2O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea.

Molecular Properties

Compound Name1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea
PubChem CID166180605
Molecular FormulaC21H23F3N2O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC Name1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea
SMILESCC(Cc1ccc(C(F)(F)F)cc1)NC(=O)NCC1(O)CCc2ccccc21
InChIInChI=1S/C21H23F3N2O2/c1-14(12-15-6-8-17(9-7-15)21(22,23)24)26-19(27)25-13-20(28)11-10-16-4-2-3-5-18(16)20/h2-9,14,28H,10-13H2,1H3,(H2,25,26,27)
InChIKeyQCFZCLVVIULJTO-UHFFFAOYSA-N
XLogP3.77
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea with MolForge

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Related Compounds

US11078186, Example 67
CID 134506894
1-(3-Phenylpropyl)-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea
CID 56764259
N-{[(S)-1-hydroxy-1-indanyl]methyl}3-[p-(trifluoromethyl)phenyl]propionamide
CID 99708862
1-(2-([1,1'-Biphenyl]-4-yl)-2-hydroxypropyl)-3-cyclohexylurea
CID 71781863
1-cyclohexyl-3-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)urea
CID 71782213
1-Cyclohexyl-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea
CID 56764252
1-(Cyclopentylmethyl)-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea
CID 51134115
1-(cyclopentylmethyl)-3-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]urea
CID 52527473
1-(cyclopentylmethyl)-3-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]urea
CID 52527474
1-(2-Hydroxy-2-phenylpropyl)-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 72013717
1-(1,1a,6,6a-Tetrahydrocyclopropa[a]inden-1-yl)-3-[2-(4-fluorophenyl)-2-hydroxypropyl]urea
CID 75391111
N-[(1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 76147737

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea?
The IUPAC name of 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea (CID 166180605) is 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea.
What is the SMILES notation for 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea?
The canonical SMILES for 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea is CC(Cc1ccc(C(F)(F)F)cc1)NC(=O)NCC1(O)CCc2ccccc21.
What is the InChIKey of 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea?
The InChIKey is QCFZCLVVIULJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O2/c1-14(12-15-6-8-17(9-7-15)21(22,23)24)26-19(27)25-13-20(28)11-10-16-4-2-3-5-18(16)20/h2-9,14,28H,10-13H2,1H3,(H2,25,26,27).
What are the key properties of 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea?
1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea has a molecular weight of 392.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea is sourced from PubChem (CID 166180605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).