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

C18H17F3N2O2 — CID 91631254

IUPAC1-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(NCC1(O)Cc2ccccc2C1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O2/c19-18(20,21)14-5-7-15(8-6-14)23-16(24)22-11-17(25)9-12-3-1-2-4-13(12)10-17/h1-8,25H,9-11H2,(H2,22,23,24)
InChIKeyVUEFUVRYZVCJNH-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.36
Rot. Bonds3

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

1-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 91631254) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 1-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID91631254
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name1-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(NCC1(O)Cc2ccccc2C1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O2/c19-18(20,21)14-5-7-15(8-6-14)23-16(24)22-11-17(25)9-12-3-1-2-4-13(12)10-17/h1-8,25H,9-11H2,(H2,22,23,24)
InChIKeyVUEFUVRYZVCJNH-UHFFFAOYSA-N
XLogP3.36
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-Diisopropyl-phenyl)-3-(1-hydroxy-indan-1-ylmethyl)-urea
CID 14555243
1-(2-Fluorophenyl)-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea
CID 56764255
1-(4-Fluorophenyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 56765320
N1-(3-fluoro-4-methylphenyl)-N2-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)oxalamide
CID 91631236
N1-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)-N2-(4-(trifluoromethyl)phenyl)oxalamide
CID 91631241
1-(2,6-difluorophenyl)-3-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)urea
CID 91631375
(S)-1-cyclopropyl-1-phenyl-2-{3-[o-(trifluoromethyl)phenyl]ureido}-1-ethanol
CID 95379638
1-(2-Hydroxy-3-phenylpropyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 56765330
1-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 71782220
1-(3,4-Dimethylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 56765410
1-(2-Fluorophenyl)-3-(2-hydroxy-2-methyl-4-phenylbutyl)urea
CID 52992712
1-(2-Hydroxy-2-methyl-4-phenylbutyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 52992717

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 91631254) is 1-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea is O=C(NCC1(O)Cc2ccccc2C1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is VUEFUVRYZVCJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c19-18(20,21)14-5-7-15(8-6-14)23-16(24)22-11-17(25)9-12-3-1-2-4-13(12)10-17/h1-8,25H,9-11H2,(H2,22,23,24).
What are the key properties of 1-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 350.34 g/mol, XLogP of 3.36, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 91631254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).