1-[(2-fluorophenyl)methyl]-3-(oxan-4-ylidenemethyl)urea

C14H17FN2O2 — CID 108913318

IUPAC1-[(2-fluorophenyl)methyl]-3-(oxan-4-ylidenemethyl)urea
SMILESO=C(NC=C1CCOCC1)NCc1ccccc1F
InChIInChI=1S/C14H17FN2O2/c15-13-4-2-1-3-12(13)10-17-14(18)16-9-11-5-7-19-8-6-11/h1-4,9H,5-8,10H2,(H2,16,17,18)
InChIKeyHGQGAPUOGMNQQT-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.32
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-3-(oxan-4-ylidenemethyl)urea

1-[(2-fluorophenyl)methyl]-3-(oxan-4-ylidenemethyl)urea (PubChem CID 108913318) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-(oxan-4-ylidenemethyl)urea.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-(oxan-4-ylidenemethyl)urea
PubChem CID108913318
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name1-[(2-fluorophenyl)methyl]-3-(oxan-4-ylidenemethyl)urea
SMILESO=C(NC=C1CCOCC1)NCc1ccccc1F
InChIInChI=1S/C14H17FN2O2/c15-13-4-2-1-3-12(13)10-17-14(18)16-9-11-5-7-19-8-6-11/h1-4,9H,5-8,10H2,(H2,16,17,18)
InChIKeyHGQGAPUOGMNQQT-UHFFFAOYSA-N
XLogP2.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(2-fluorophenyl)methyl]-2-morpholin-4-ylpropanamide
CID 32807681
N-[(2-fluorophenyl)methyl]carbamoyl bromide
CID 115193660
1-[2-(2-fluorophenyl)ethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 36873779
1-(2,6-dichlorophenyl)-3-[(2-fluorophenyl)methyl]urea
CID 108897575
N-[(2-fluorophenyl)methyl]oxolane-3-carboxamide
CID 47443507
N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide
CID 115139087
1-(3-aminopropyl)-3-[(2-fluorophenyl)methyl]urea
CID 117235553
1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 47091719
1-(3,4-dihydro-2H-chromen-4-yl)-3-[(2-fluorophenyl)methyl]urea
CID 110866066
1-[(2-fluorophenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81162721
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-fluorophenyl)methyl]urea
CID 47480737
(E)-4-[(2-fluorophenyl)methylamino]-4-oxobut-2-enoic acid
CID 43397099

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(oxan-4-ylidenemethyl)urea?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(oxan-4-ylidenemethyl)urea (CID 108913318) is 1-[(2-fluorophenyl)methyl]-3-(oxan-4-ylidenemethyl)urea.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-(oxan-4-ylidenemethyl)urea?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-(oxan-4-ylidenemethyl)urea is O=C(NC=C1CCOCC1)NCc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-(oxan-4-ylidenemethyl)urea?
The InChIKey is HGQGAPUOGMNQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c15-13-4-2-1-3-12(13)10-17-14(18)16-9-11-5-7-19-8-6-11/h1-4,9H,5-8,10H2,(H2,16,17,18).
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-(oxan-4-ylidenemethyl)urea?
1-[(2-fluorophenyl)methyl]-3-(oxan-4-ylidenemethyl)urea has a molecular weight of 264.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-(oxan-4-ylidenemethyl)urea is sourced from PubChem (CID 108913318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).