1-(3-fluorophenyl)-3-[[1-(hydroxymethyl)cyclohexyl]methyl]urea

C15H21FN2O2 — CID 115683138

IUPAC1-(3-fluorophenyl)-3-[[1-(hydroxymethyl)cyclohexyl]methyl]urea
SMILESO=C(NCC1(CO)CCCCC1)Nc1cccc(F)c1
InChIInChI=1S/C15H21FN2O2/c16-12-5-4-6-13(9-12)18-14(20)17-10-15(11-19)7-2-1-3-8-15/h4-6,9,19H,1-3,7-8,10-11H2,(H2,17,18,20)
InChIKeyFBFWYTYZZZBEPW-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.89
Rot. Bonds4

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

1-(3-fluorophenyl)-3-[[1-(hydroxymethyl)cyclohexyl]methyl]urea (PubChem CID 115683138) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[[1-(hydroxymethyl)cyclohexyl]methyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[[1-(hydroxymethyl)cyclohexyl]methyl]urea
PubChem CID115683138
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name1-(3-fluorophenyl)-3-[[1-(hydroxymethyl)cyclohexyl]methyl]urea
SMILESO=C(NCC1(CO)CCCCC1)Nc1cccc(F)c1
InChIInChI=1S/C15H21FN2O2/c16-12-5-4-6-13(9-12)18-14(20)17-10-15(11-19)7-2-1-3-8-15/h4-6,9,19H,1-3,7-8,10-11H2,(H2,17,18,20)
InChIKeyFBFWYTYZZZBEPW-UHFFFAOYSA-N
XLogP2.89
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea
CID 110642330
1-(2,4-difluorophenyl)-3-[[1-(hydroxymethyl)cyclohexyl]methyl]urea
CID 115683139
1-(3-cyanophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 79451080
1-[1-(aminomethyl)cyclopentyl]-3-(3-fluorophenyl)urea
CID 63767680
N-(3-fluorophenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111430420
2,6-dihydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103890643
1-(3-fluorophenyl)-3-[[3-[[(3-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835568
4-fluoro-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103830141
1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[[1-(hydroxymethyl)cyclobutyl]methyl]urea
CID 118761811
1-(3-fluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111472706
3,5-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701272
1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
CID 47154197

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[[1-(hydroxymethyl)cyclohexyl]methyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[[1-(hydroxymethyl)cyclohexyl]methyl]urea (CID 115683138) is 1-(3-fluorophenyl)-3-[[1-(hydroxymethyl)cyclohexyl]methyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[[1-(hydroxymethyl)cyclohexyl]methyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[[1-(hydroxymethyl)cyclohexyl]methyl]urea is O=C(NCC1(CO)CCCCC1)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[[1-(hydroxymethyl)cyclohexyl]methyl]urea?
The InChIKey is FBFWYTYZZZBEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c16-12-5-4-6-13(9-12)18-14(20)17-10-15(11-19)7-2-1-3-8-15/h4-6,9,19H,1-3,7-8,10-11H2,(H2,17,18,20).
What are the key properties of 1-(3-fluorophenyl)-3-[[1-(hydroxymethyl)cyclohexyl]methyl]urea?
1-(3-fluorophenyl)-3-[[1-(hydroxymethyl)cyclohexyl]methyl]urea has a molecular weight of 280.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[[1-(hydroxymethyl)cyclohexyl]methyl]urea is sourced from PubChem (CID 115683138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).