1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea

C12H15FN2O2 — CID 115619728

IUPAC1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESO=C(NCC1(O)CCC1)Nc1ccccc1F
InChIInChI=1S/C12H15FN2O2/c13-9-4-1-2-5-10(9)15-11(16)14-8-12(17)6-3-7-12/h1-2,4-5,17H,3,6-8H2,(H2,14,15,16)
InChIKeyKKYLJPHKVKZPNQ-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.86
Rot. Bonds3

About 1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea

1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea (PubChem CID 115619728) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
PubChem CID115619728
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESO=C(NCC1(O)CCC1)Nc1ccccc1F
InChIInChI=1S/C12H15FN2O2/c13-9-4-1-2-5-10(9)15-11(16)14-8-12(17)6-3-7-12/h1-2,4-5,17H,3,6-8H2,(H2,14,15,16)
InChIKeyKKYLJPHKVKZPNQ-UHFFFAOYSA-N
XLogP1.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111521389
1-[(1-hydroxycyclobutyl)methyl]-3-(2,3,4-trifluorophenyl)urea
CID 111437480
2-[1-[[(2-fluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid
CID 81164735
1-(2,4-difluorophenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 61238526
1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111431036
1-(5-chloro-2-fluorophenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936278
1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 47091719
1-[(1-hydroxycyclohexyl)methyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea
CID 111475461
1-(2,3-difluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936339
1-[2-(ethoxymethyl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437639
1-(2-fluorophenyl)-3-[(3-methyloxetan-3-yl)methyl]urea
CID 112690764
1-[2-[benzyl(methyl)amino]phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437683

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea (CID 115619728) is 1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea is O=C(NCC1(O)CCC1)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea?
The InChIKey is KKYLJPHKVKZPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-9-4-1-2-5-10(9)15-11(16)14-8-12(17)6-3-7-12/h1-2,4-5,17H,3,6-8H2,(H2,14,15,16).
What are the key properties of 1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea?
1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea has a molecular weight of 238.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea is sourced from PubChem (CID 115619728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).