1-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)urea

C14H19FN2O2 — CID 3688648

IUPAC1-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)urea
SMILESCC1(C)CC(NC(=O)Nc2ccc(F)cc2)CCO1
InChIInChI=1S/C14H19FN2O2/c1-14(2)9-12(7-8-19-14)17-13(18)16-11-5-3-10(15)4-6-11/h3-6,12H,7-9H2,1-2H3,(H2,16,17,18)
InChIKeyOITIJUNYPCUHEZ-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.90
Rot. Bonds2

About 1-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)urea

1-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)urea (PubChem CID 3688648) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)urea
PubChem CID3688648
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)urea
SMILESCC1(C)CC(NC(=O)Nc2ccc(F)cc2)CCO1
InChIInChI=1S/C14H19FN2O2/c1-14(2)9-12(7-8-19-14)17-13(18)16-11-5-3-10(15)4-6-11/h3-6,12H,7-9H2,1-2H3,(H2,16,17,18)
InChIKeyOITIJUNYPCUHEZ-UHFFFAOYSA-N
XLogP2.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
1-[3-(aminomethyl)phenyl]-3-(2,2-dimethyloxan-4-yl)urea
CID 83028430
2-[(2,2-dimethyloxan-4-yl)carbamoylamino]benzoic acid
CID 83034494
1-(2,2-dimethyloxan-4-yl)-3-(6-methyl-2-pyridinyl)urea
CID 75507988
1-(5-acetyl-2-methylphenyl)-3-(2,2-dimethyloxan-4-yl)urea
CID 143698513
N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzamide
CID 83039025
N-(2,2-dimethyloxan-4-yl)-5-(methylamino)pyridine-2-carboxamide
CID 104641994
1-[4-[(2,2-dimethyloxan-4-yl)amino]phenyl]ethanone
CID 114468372
methyl 4-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylate
CID 115616958
N-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)imidazole-4-carboxamide
CID 126770065
3-amino-N-(2,2-dimethyloxan-4-yl)-2,6-difluorobenzamide
CID 83027170
1-(4-fluorophenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 24651175

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)urea (CID 3688648) is 1-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)urea is CC1(C)CC(NC(=O)Nc2ccc(F)cc2)CCO1.
What is the InChIKey of 1-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)urea?
The InChIKey is OITIJUNYPCUHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-14(2)9-12(7-8-19-14)17-13(18)16-11-5-3-10(15)4-6-11/h3-6,12H,7-9H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)urea?
1-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)urea has a molecular weight of 266.32 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)urea is sourced from PubChem (CID 3688648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).