1-[2-(4-fluorophenoxy)propyl]-3-(2-hydroxycyclohexyl)urea

C16H23FN2O3 — CID 111508697

IUPAC1-[2-(4-fluorophenoxy)propyl]-3-(2-hydroxycyclohexyl)urea
SMILESCC(CNC(=O)NC1CCCCC1O)Oc1ccc(F)cc1
InChIInChI=1S/C16H23FN2O3/c1-11(22-13-8-6-12(17)7-9-13)10-18-16(21)19-14-4-2-3-5-15(14)20/h6-9,11,14-15,20H,2-5,10H2,1H3,(H2,18,19,21)
InChIKeyZSSPDZWOIONBQM-UHFFFAOYSA-N
MW310.37 g/mol
LogP2.20
Rot. Bonds5

About 1-[2-(4-fluorophenoxy)propyl]-3-(2-hydroxycyclohexyl)urea

1-[2-(4-fluorophenoxy)propyl]-3-(2-hydroxycyclohexyl)urea (PubChem CID 111508697) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is 1-[2-(4-fluorophenoxy)propyl]-3-(2-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenoxy)propyl]-3-(2-hydroxycyclohexyl)urea
PubChem CID111508697
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name1-[2-(4-fluorophenoxy)propyl]-3-(2-hydroxycyclohexyl)urea
SMILESCC(CNC(=O)NC1CCCCC1O)Oc1ccc(F)cc1
InChIInChI=1S/C16H23FN2O3/c1-11(22-13-8-6-12(17)7-9-13)10-18-16(21)19-14-4-2-3-5-15(14)20/h6-9,11,14-15,20H,2-5,10H2,1H3,(H2,18,19,21)
InChIKeyZSSPDZWOIONBQM-UHFFFAOYSA-N
XLogP2.20
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea
CID 94797733
1-amino-N-[2-(4-fluorophenoxy)propyl]cyclopentane-1-carboxamide
CID 119335506
N-[2-(4-fluorophenoxy)propyl]-2-methylsulfonylcyclohexan-1-amine
CID 136520499
1-(2-hydroxycyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea
CID 110933256
2-(4-fluorophenoxy)-N-(2-methylcyclohexyl)propanamide
CID 42901999
N-[2-(4-fluorophenoxy)propyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119804506
N-[2-(4-fluorophenoxy)propyl]-2-methoxyacetamide
CID 71994274
N-[2-(4-fluorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide
CID 119804487
1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxycyclohexyl)urea
CID 111104304
2-[[(cyclohexylamino)-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111497766
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
N-cyclopropyl-2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]acetamide
CID 111678470

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenoxy)propyl]-3-(2-hydroxycyclohexyl)urea?
The IUPAC name of 1-[2-(4-fluorophenoxy)propyl]-3-(2-hydroxycyclohexyl)urea (CID 111508697) is 1-[2-(4-fluorophenoxy)propyl]-3-(2-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-[2-(4-fluorophenoxy)propyl]-3-(2-hydroxycyclohexyl)urea?
The canonical SMILES for 1-[2-(4-fluorophenoxy)propyl]-3-(2-hydroxycyclohexyl)urea is CC(CNC(=O)NC1CCCCC1O)Oc1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenoxy)propyl]-3-(2-hydroxycyclohexyl)urea?
The InChIKey is ZSSPDZWOIONBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-11(22-13-8-6-12(17)7-9-13)10-18-16(21)19-14-4-2-3-5-15(14)20/h6-9,11,14-15,20H,2-5,10H2,1H3,(H2,18,19,21).
What are the key properties of 1-[2-(4-fluorophenoxy)propyl]-3-(2-hydroxycyclohexyl)urea?
1-[2-(4-fluorophenoxy)propyl]-3-(2-hydroxycyclohexyl)urea has a molecular weight of 310.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenoxy)propyl]-3-(2-hydroxycyclohexyl)urea is sourced from PubChem (CID 111508697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).