1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(trifluoromethyl)phenyl]urea

C17H15F3N2O2 — CID 75617082

IUPAC1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccccc1C(F)(F)F)NC1c2ccccc2CC1O
InChIInChI=1S/C17H15F3N2O2/c18-17(19,20)12-7-3-4-8-13(12)21-16(24)22-15-11-6-2-1-5-10(11)9-14(15)23/h1-8,14-15,23H,9H2,(H2,21,22,24)
InChIKeyITISLVYVTSVXRX-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.49
Rot. Bonds2

About 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(trifluoromethyl)phenyl]urea

1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 75617082) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID75617082
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccccc1C(F)(F)F)NC1c2ccccc2CC1O
InChIInChI=1S/C17H15F3N2O2/c18-17(19,20)12-7-3-4-8-13(12)21-16(24)22-15-11-6-2-1-5-10(11)9-14(15)23/h1-8,14-15,23H,9H2,(H2,21,22,24)
InChIKeyITISLVYVTSVXRX-UHFFFAOYSA-N
XLogP3.49
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110922075
1-[2-(dimethylamino)phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110907994
1-(2,4-difluorophenyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 76869001
2,2,2-trifluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 11665946
1-(2,5-dimethylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 51094079
3-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60591169
1-tert-butyl-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 61367022
1-[2-chloro-5-(pentafluoro-λ6-sulfanyl)phenyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 126667715
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-ylurea
CID 110895973
1-cyclopropyl-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 47374066
1-[(2-fluorophenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 131961678
1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]urea
CID 136580444

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(trifluoromethyl)phenyl]urea (CID 75617082) is 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(trifluoromethyl)phenyl]urea is O=C(Nc1ccccc1C(F)(F)F)NC1c2ccccc2CC1O.
What is the InChIKey of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is ITISLVYVTSVXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c18-17(19,20)12-7-3-4-8-13(12)21-16(24)22-15-11-6-2-1-5-10(11)9-14(15)23/h1-8,14-15,23H,9H2,(H2,21,22,24).
What are the key properties of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(trifluoromethyl)phenyl]urea?
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 336.31 g/mol, XLogP of 3.49, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 75617082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).