1-[(1-hydroxycyclobutyl)methyl]-3-(2,3,4-trifluorophenyl)urea

C12H13F3N2O2 — CID 111437480

IUPAC1-[(1-hydroxycyclobutyl)methyl]-3-(2,3,4-trifluorophenyl)urea
SMILESO=C(NCC1(O)CCC1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C12H13F3N2O2/c13-7-2-3-8(10(15)9(7)14)17-11(18)16-6-12(19)4-1-5-12/h2-3,19H,1,4-6H2,(H2,16,17,18)
InChIKeyXCICNUIKJNUHDP-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.14
Rot. Bonds3

About 1-[(1-hydroxycyclobutyl)methyl]-3-(2,3,4-trifluorophenyl)urea

1-[(1-hydroxycyclobutyl)methyl]-3-(2,3,4-trifluorophenyl)urea (PubChem CID 111437480) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 1-[(1-hydroxycyclobutyl)methyl]-3-(2,3,4-trifluorophenyl)urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclobutyl)methyl]-3-(2,3,4-trifluorophenyl)urea
PubChem CID111437480
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name1-[(1-hydroxycyclobutyl)methyl]-3-(2,3,4-trifluorophenyl)urea
SMILESO=C(NCC1(O)CCC1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C12H13F3N2O2/c13-7-2-3-8(10(15)9(7)14)17-11(18)16-6-12(19)4-1-5-12/h2-3,19H,1,4-6H2,(H2,16,17,18)
InChIKeyXCICNUIKJNUHDP-UHFFFAOYSA-N
XLogP2.14
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[[(2,3,4-trifluorophenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446301
1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619728
1-(2,4-difluorophenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 61238526
1-(5-chloro-2-fluorophenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936278
1-(3-fluoro-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111521389
2-(1-hydroxycyclopentyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 111430472
1-(2,3-difluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936339
1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111431036
1-[(2,3,4-trifluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61182116
N'-(5-chloro-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide
CID 111435584
1-(4-bromo-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437547
N'-(5-bromo-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide
CID 111435537

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-3-(2,3,4-trifluorophenyl)urea?
The IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-3-(2,3,4-trifluorophenyl)urea (CID 111437480) is 1-[(1-hydroxycyclobutyl)methyl]-3-(2,3,4-trifluorophenyl)urea.
What is the SMILES notation for 1-[(1-hydroxycyclobutyl)methyl]-3-(2,3,4-trifluorophenyl)urea?
The canonical SMILES for 1-[(1-hydroxycyclobutyl)methyl]-3-(2,3,4-trifluorophenyl)urea is O=C(NCC1(O)CCC1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 1-[(1-hydroxycyclobutyl)methyl]-3-(2,3,4-trifluorophenyl)urea?
The InChIKey is XCICNUIKJNUHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-7-2-3-8(10(15)9(7)14)17-11(18)16-6-12(19)4-1-5-12/h2-3,19H,1,4-6H2,(H2,16,17,18).
What are the key properties of 1-[(1-hydroxycyclobutyl)methyl]-3-(2,3,4-trifluorophenyl)urea?
1-[(1-hydroxycyclobutyl)methyl]-3-(2,3,4-trifluorophenyl)urea has a molecular weight of 274.24 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclobutyl)methyl]-3-(2,3,4-trifluorophenyl)urea is sourced from PubChem (CID 111437480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).