1-(2-adamantyl)-3-(2-fluorophenyl)urea

C17H21FN2O — CID 12715309

IUPAC1-(2-adamantyl)-3-(2-fluorophenyl)urea
SMILESO=C(Nc1ccccc1F)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H21FN2O/c18-14-3-1-2-4-15(14)19-17(21)20-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16H,5-9H2,(H2,19,20,21)
InChIKeyUJPDGYXLZOYFGF-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.77
Rot. Bonds2

About 1-(2-adamantyl)-3-(2-fluorophenyl)urea

1-(2-adamantyl)-3-(2-fluorophenyl)urea (PubChem CID 12715309) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-(2-adamantyl)-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-(2-adamantyl)-3-(2-fluorophenyl)urea
PubChem CID12715309
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name1-(2-adamantyl)-3-(2-fluorophenyl)urea
SMILESO=C(Nc1ccccc1F)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H21FN2O/c18-14-3-1-2-4-15(14)19-17(21)20-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16H,5-9H2,(H2,19,20,21)
InChIKeyUJPDGYXLZOYFGF-UHFFFAOYSA-N
XLogP3.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Siduron
CID 16116
1-(2-Adamantyl)-3-(2,3,4-trifluorophenyl)urea
CID 3754047
1-Adamantan-1-yl-3-phenyl-urea
CID 3090774
1-(1-Adamantyl)-3-(2,3,4-trifluorophenyl)urea
CID 54752297
N-(Cyclohexylmethyl)-N'-phenylurea
CID 4557394
N-(2-fluorophenyl)-N'-(1,2,3,4-tetrahydro-1-naphthalenyl)urea
CID 2812537
1-(4-Fluorophenyl)-3-(4-phenylbutyl)urea
CID 24818667
3,3'-Dicyclohexyl-1,1'-methylenebis(4,1-phenylene)diurea
CID 352756
1-(2,3,4-Trifluorophenyl)-3-(2,6,6-trimethylnorpinan-3-yl)urea
CID 56676336
1-[(6,6-Dimethylnorpinan-2-yl)methyl]-3-(2,3,4-trifluorophenyl)urea
CID 56679661
1-(1-Adamantylmethyl)-3-(2,3,4-trifluorophenyl)urea
CID 56682986
1-(1-Adamantyl)-3-(4-iodophenyl)urea
CID 60638849

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-3-(2-fluorophenyl)urea?
The IUPAC name of 1-(2-adamantyl)-3-(2-fluorophenyl)urea (CID 12715309) is 1-(2-adamantyl)-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-(2-adamantyl)-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-(2-adamantyl)-3-(2-fluorophenyl)urea is O=C(Nc1ccccc1F)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-3-(2-fluorophenyl)urea?
The InChIKey is UJPDGYXLZOYFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c18-14-3-1-2-4-15(14)19-17(21)20-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16H,5-9H2,(H2,19,20,21).
What are the key properties of 1-(2-adamantyl)-3-(2-fluorophenyl)urea?
1-(2-adamantyl)-3-(2-fluorophenyl)urea has a molecular weight of 288.37 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-3-(2-fluorophenyl)urea is sourced from PubChem (CID 12715309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).