1-[2-(3-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)cyclohexyl]urea

C16H23FN2O2 — CID 111630412

IUPAC1-[2-(3-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
SMILESO=C(NCCc1cccc(F)c1)NC1CCCCC1CO
InChIInChI=1S/C16H23FN2O2/c17-14-6-3-4-12(10-14)8-9-18-16(21)19-15-7-2-1-5-13(15)11-20/h3-4,6,10,13,15,20H,1-2,5,7-9,11H2,(H2,18,19,21)
InChIKeyWJYKRJZHNBSGFB-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.22
Rot. Bonds5

About 1-[2-(3-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)cyclohexyl]urea

1-[2-(3-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)cyclohexyl]urea (PubChem CID 111630412) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
PubChem CID111630412
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
SMILESO=C(NCCc1cccc(F)c1)NC1CCCCC1CO
InChIInChI=1S/C16H23FN2O2/c17-14-6-3-4-12(10-14)8-9-18-16(21)19-15-7-2-1-5-13(15)11-20/h3-4,6,10,13,15,20H,1-2,5,7-9,11H2,(H2,18,19,21)
InChIKeyWJYKRJZHNBSGFB-UHFFFAOYSA-N
XLogP2.22
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3-fluorophenyl)propyl]-3-[2-(hydroxymethyl)cyclopentyl]urea
CID 71868285
1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(3,4,5-trifluorophenyl)ethyl]urea
CID 110024755
1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(4-nitrophenyl)ethyl]urea
CID 75424039
1-[1-(3-fluorophenyl)piperidin-4-yl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111631108
1-[(E)-2-cyclopentylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea
CID 108911960
1-[(E)-2-cyclohexylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea
CID 108912333
(E)-3-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103798358
1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 96569194
N'-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide
CID 111840919
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[2-(3-fluorophenyl)ethyl]urea
CID 94017685
1-cyclohexyl-3-[2-(3-fluorophenyl)ethyl]-1-methylurea
CID 108901132
1-[2-(hydroxymethyl)cyclohexyl]-3-propylurea
CID 103722438

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)cyclohexyl]urea?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)cyclohexyl]urea (CID 111630412) is 1-[2-(3-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)cyclohexyl]urea.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)cyclohexyl]urea?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)cyclohexyl]urea is O=C(NCCc1cccc(F)c1)NC1CCCCC1CO.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)cyclohexyl]urea?
The InChIKey is WJYKRJZHNBSGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c17-14-6-3-4-12(10-14)8-9-18-16(21)19-15-7-2-1-5-13(15)11-20/h3-4,6,10,13,15,20H,1-2,5,7-9,11H2,(H2,18,19,21).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)cyclohexyl]urea?
1-[2-(3-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)cyclohexyl]urea has a molecular weight of 294.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)cyclohexyl]urea is sourced from PubChem (CID 111630412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).