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

C19H19F3N2O2 — CID 60580582

IUPAC1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
SMILESCC(NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O2/c1-11(12-6-4-7-14(9-12)19(20,21)22)23-18(26)24-17-15-8-3-2-5-13(15)10-16(17)25/h2-9,11,16-17,25H,10H2,1H3,(H2,23,24,26)/t11?,16-,17+/m0/s1
InChIKeyUMIMIFBEAJCCPT-DZLJAHQNSA-N
MW364.37 g/mol
LogP3.72
Rot. Bonds3

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

1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 60580582) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID60580582
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
SMILESCC(NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O2/c1-11(12-6-4-7-14(9-12)19(20,21)22)23-18(26)24-17-15-8-3-2-5-13(15)10-16(17)25/h2-9,11,16-17,25H,10H2,1H3,(H2,23,24,26)/t11?,16-,17+/m0/s1
InChIKeyUMIMIFBEAJCCPT-DZLJAHQNSA-N
XLogP3.72
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
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1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 127423927
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4,4,4-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide
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(1R,2S)-1-[[4-hydroxy-4-(trifluoromethyl)cyclohexyl]amino]-2,3-dihydro-1H-inden-2-ol
CID 84587736
3-(1,2,3,3a,4,5-Hexahydroacenaphthylen-1-yl)-1-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)urea
CID 86790789
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]butan-2-yl]acetamide
CID 57512080
[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]butan-2-yl]carbamic acid
CID 57512206
[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]butan-2-yl]carbamic acid
CID 57512208
tert-butyl N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]butan-2-yl]carbamate
CID 58802384

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea (CID 60580582) is 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea is CC(NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is UMIMIFBEAJCCPT-DZLJAHQNSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-11(12-6-4-7-14(9-12)19(20,21)22)23-18(26)24-17-15-8-3-2-5-13(15)10-16(17)25/h2-9,11,16-17,25H,10H2,1H3,(H2,23,24,26)/t11?,16-,17+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea?
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 364.37 g/mol, XLogP of 3.72, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 60580582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).