1-(2-fluorophenyl)-3-[2-(2-methylcyclohexyl)oxyethyl]urea

C16H23FN2O2 — CID 47034705

IUPAC1-(2-fluorophenyl)-3-[2-(2-methylcyclohexyl)oxyethyl]urea
SMILESCC1CCCCC1OCCNC(=O)Nc1ccccc1F
InChIInChI=1S/C16H23FN2O2/c1-12-6-2-5-9-15(12)21-11-10-18-16(20)19-14-8-4-3-7-13(14)17/h3-4,7-8,12,15H,2,5-6,9-11H2,1H3,(H2,18,19,20)
InChIKeySXTXKNSFJDSIII-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.54
Rot. Bonds5

About 1-(2-fluorophenyl)-3-[2-(2-methylcyclohexyl)oxyethyl]urea

1-(2-fluorophenyl)-3-[2-(2-methylcyclohexyl)oxyethyl]urea (PubChem CID 47034705) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[2-(2-methylcyclohexyl)oxyethyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[2-(2-methylcyclohexyl)oxyethyl]urea
PubChem CID47034705
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-(2-fluorophenyl)-3-[2-(2-methylcyclohexyl)oxyethyl]urea
SMILESCC1CCCCC1OCCNC(=O)Nc1ccccc1F
InChIInChI=1S/C16H23FN2O2/c1-12-6-2-5-9-15(12)21-11-10-18-16(20)19-14-8-4-3-7-13(14)17/h3-4,7-8,12,15H,2,5-6,9-11H2,1H3,(H2,18,19,20)
InChIKeySXTXKNSFJDSIII-UHFFFAOYSA-N
XLogP3.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylurea
CID 47034652
1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]urea
CID 98723402
1-[2-(2-cyano-3-fluoroanilino)ethyl]-3-[2-(2-methylcyclohexyl)oxyethyl]urea
CID 55809059
1-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea
CID 94080026
1-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea
CID 94080028
2-(2-methoxyphenyl)-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]acetamide
CID 51948594
1-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-3-[5-(trifluoromethyl)-2-pyridinyl]urea
CID 97352901
3-amino-2-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylpropanamide
CID 119723102
N-methyl-3-[2-[(1S,2S)-2-methylcyclohexyl]oxyethylcarbamoylamino]-N-phenylbenzamide
CID 52519000
1-[2-(cyclopropylamino)ethyl]-3-(2-fluorophenyl)urea
CID 62663672
1-(2-fluorophenyl)-3-[(3-methylpiperidin-2-yl)methyl]urea
CID 63304885
(2R)-N-[4-[2-[(1S,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]phenyl]oxolane-2-carboxamide
CID 124727206

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[2-(2-methylcyclohexyl)oxyethyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[2-(2-methylcyclohexyl)oxyethyl]urea (CID 47034705) is 1-(2-fluorophenyl)-3-[2-(2-methylcyclohexyl)oxyethyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[2-(2-methylcyclohexyl)oxyethyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[2-(2-methylcyclohexyl)oxyethyl]urea is CC1CCCCC1OCCNC(=O)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[2-(2-methylcyclohexyl)oxyethyl]urea?
The InChIKey is SXTXKNSFJDSIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-12-6-2-5-9-15(12)21-11-10-18-16(20)19-14-8-4-3-7-13(14)17/h3-4,7-8,12,15H,2,5-6,9-11H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2-fluorophenyl)-3-[2-(2-methylcyclohexyl)oxyethyl]urea?
1-(2-fluorophenyl)-3-[2-(2-methylcyclohexyl)oxyethyl]urea has a molecular weight of 294.37 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[2-(2-methylcyclohexyl)oxyethyl]urea is sourced from PubChem (CID 47034705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).