1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)urea

C20H23FN2O2 — CID 166190939

IUPAC1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESCc1ccc2c(c1)C(NC(=O)NCC(O)c1ccccc1F)CCC2
InChIInChI=1S/C20H23FN2O2/c1-13-9-10-14-5-4-8-18(16(14)11-13)23-20(25)22-12-19(24)15-6-2-3-7-17(15)21/h2-3,6-7,9-11,18-19,24H,4-5,8,12H2,1H3,(H2,22,23,25)
InChIKeyWUNUCOKTQSVLFW-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.54
Rot. Bonds4

About 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)urea

1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)urea (PubChem CID 166190939) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)urea
PubChem CID166190939
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESCc1ccc2c(c1)C(NC(=O)NCC(O)c1ccccc1F)CCC2
InChIInChI=1S/C20H23FN2O2/c1-13-9-10-14-5-4-8-18(16(14)11-13)23-20(25)22-12-19(24)15-6-2-3-7-17(15)21/h2-3,6-7,9-11,18-19,24H,4-5,8,12H2,1H3,(H2,22,23,25)
InChIKeyWUNUCOKTQSVLFW-UHFFFAOYSA-N
XLogP3.54
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]acetamide
CID 57512157
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[(1S)-7-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]acetamide
CID 59028115
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[(1S)-7-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]acetamide
CID 59129131
N-[(2S,3R)-4-[[(1S)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
CID 73350655
N-[(2S,3R)-4-[[(1S)-7-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
CID 73356672
N-[(2S,3R)-4-[[(1S)-7-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
CID 73356673
1-(3,4-Difluorophenyl)-2-[(2,4,6-trimethylphenyl)methylamino]ethanol
CID 45883757
1-[2-(3-Fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea
CID 47081484
1-Benzyl-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea
CID 51094198
1-[2-(3-Fluorophenyl)-2-hydroxyethyl]-3-[(3-fluorophenyl)methyl]urea
CID 53557729
1-Benzyl-3-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)urea
CID 56765522
1-(2-([1,1'-Biphenyl]-4-yl)-2-hydroxypropyl)-3-(4-fluorobenzyl)urea
CID 71781866

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)urea (CID 166190939) is 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)urea is Cc1ccc2c(c1)C(NC(=O)NCC(O)c1ccccc1F)CCC2.
What is the InChIKey of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The InChIKey is WUNUCOKTQSVLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-13-9-10-14-5-4-8-18(16(14)11-13)23-20(25)22-12-19(24)15-6-2-3-7-17(15)21/h2-3,6-7,9-11,18-19,24H,4-5,8,12H2,1H3,(H2,22,23,25).
What are the key properties of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)urea?
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)urea has a molecular weight of 342.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 166190939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).