1-(3-fluoro-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea

C13H17FN2O2 — CID 111521389

IUPAC1-(3-fluoro-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESCc1c(F)cccc1NC(=O)NCC1(O)CCC1
InChIInChI=1S/C13H17FN2O2/c1-9-10(14)4-2-5-11(9)16-12(17)15-8-13(18)6-3-7-13/h2,4-5,18H,3,6-8H2,1H3,(H2,15,16,17)
InChIKeyIFVRCEFAUWHSJX-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.17
Rot. Bonds3

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

1-(3-fluoro-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea (PubChem CID 111521389) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-(3-fluoro-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
PubChem CID111521389
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name1-(3-fluoro-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESCc1c(F)cccc1NC(=O)NCC1(O)CCC1
InChIInChI=1S/C13H17FN2O2/c1-9-10(14)4-2-5-11(9)16-12(17)15-8-13(18)6-3-7-13/h2,4-5,18H,3,6-8H2,1H3,(H2,15,16,17)
InChIKeyIFVRCEFAUWHSJX-UHFFFAOYSA-N
XLogP2.17
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619728
1-(3-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103751
1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111431036
1-[(1-hydroxycyclobutyl)methyl]-3-(2,3,4-trifluorophenyl)urea
CID 111437480
1-[(1-hydroxycyclohexyl)methyl]-3-(2-methyl-3-pyrrolidin-1-ylphenyl)urea
CID 72914253
1-(2,3-difluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936339
1-(2,4-difluorophenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 61238526
1-(5-chloro-2-fluorophenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936278
1-[2-(ethoxymethyl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437639
1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437655
1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 47091719
1-(4-chloro-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103409

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea?
The IUPAC name of 1-(3-fluoro-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea (CID 111521389) is 1-(3-fluoro-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea.
What is the SMILES notation for 1-(3-fluoro-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea?
The canonical SMILES for 1-(3-fluoro-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea is Cc1c(F)cccc1NC(=O)NCC1(O)CCC1.
What is the InChIKey of 1-(3-fluoro-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea?
The InChIKey is IFVRCEFAUWHSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-9-10(14)4-2-5-11(9)16-12(17)15-8-13(18)6-3-7-13/h2,4-5,18H,3,6-8H2,1H3,(H2,15,16,17).
What are the key properties of 1-(3-fluoro-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea?
1-(3-fluoro-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea has a molecular weight of 252.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea is sourced from PubChem (CID 111521389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).