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

C21H23FN2O2 — CID 127423927

IUPAC1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCC1CCc2c(F)cccc2C1NC(=O)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C21H23FN2O2/c1-12-9-10-15-16(7-4-8-17(15)22)19(12)23-21(26)24-20-14-6-3-2-5-13(14)11-18(20)25/h2-8,12,18-20,25H,9-11H2,1H3,(H2,23,24,26)/t12?,18-,19?,20+/m1/s1
InChIKeyJEHPBERFNZLRRH-FBIAFKDQSA-N
MW354.43 g/mol
LogP3.41
Rot. Bonds2

About 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

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 (PubChem CID 127423927) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID127423927
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCC1CCc2c(F)cccc2C1NC(=O)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C21H23FN2O2/c1-12-9-10-15-16(7-4-8-17(15)22)19(12)23-21(26)24-20-14-6-3-2-5-13(14)11-18(20)25/h2-8,12,18-20,25H,9-11H2,1H3,(H2,23,24,26)/t12?,18-,19?,20+/m1/s1
InChIKeyJEHPBERFNZLRRH-FBIAFKDQSA-N
XLogP3.41
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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
(1S,3S)-1-[(3-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol
CID 59581898
(1S,3S)-1-[(4-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol
CID 59581942
(1S,3S)-1-[(3,4-difluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol
CID 59582019
(1S,3R)-1-[(4-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol
CID 59582023
(1S,3R)-1-[(3,4-difluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol
CID 59582054
(1S,3R)-1-[(3-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol
CID 59582063
N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-hydroxy-2-methyl-6-propan-2-yl-1,3-dihydroinden-1-yl)amino]butan-2-yl]acetamide
CID 60207038
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(6-ethyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-3-hydroxybutan-2-yl]acetamide
CID 68539637
N-[(2S,3S)-1-(3,5-difluorophenyl)-4-[(6-ethyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-3-hydroxybutan-2-yl]acetamide
CID 68539640
1-[2-(2-Fluorophenyl)-2-hydroxyethyl]-3-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 166190939
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(E,1S)-1-trimethylsilylbut-2-enyl]urea
CID 154716131

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CCc2c(F)cccc2C1NC(=O)N[C@H]1c2ccccc2C[C@H]1O.
What is the InChIKey of 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?
The InChIKey is JEHPBERFNZLRRH-FBIAFKDQSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-12-9-10-15-16(7-4-8-17(15)22)19(12)23-21(26)24-20-14-6-3-2-5-13(14)11-18(20)25/h2-8,12,18-20,25H,9-11H2,1H3,(H2,23,24,26)/t12?,18-,19?,20+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 354.43 g/mol, XLogP of 3.41, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 127423927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).