1-(1-adamantyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea

C19H23FN2O — CID 108904449

IUPAC1-(1-adamantyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
SMILESO=C(N/C=C/c1ccccc1F)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23FN2O/c20-17-4-2-1-3-16(17)5-6-21-18(23)22-19-10-13-7-14(11-19)9-15(8-13)12-19/h1-6,13-15H,7-12H2,(H2,21,22,23)/b6-5+
InChIKeyWGRRUPFWLTUVNX-AATRIKPKSA-N
MW314.40 g/mol
LogP4.06
Rot. Bonds3

About 1-(1-adamantyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea

1-(1-adamantyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea (PubChem CID 108904449) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
PubChem CID108904449
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name1-(1-adamantyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
SMILESO=C(N/C=C/c1ccccc1F)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23FN2O/c20-17-4-2-1-3-16(17)5-6-21-18(23)22-19-10-13-7-14(11-19)9-15(8-13)12-19/h1-6,13-15H,7-12H2,(H2,21,22,23)/b6-5+
InChIKeyWGRRUPFWLTUVNX-AATRIKPKSA-N
XLogP4.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-adamantyl)-3-[(E)-2-(2-chlorophenyl)ethenyl]urea
CID 108904821
1-(1-adamantyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 72741547
1-cyclododecyl-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904312
1-(1-adamantyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907800
1-ethyl-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904341
1-[(E)-2-(2-fluorophenyl)ethenyl]adamantane
CID 10801086
1-[(E)-2-(2-fluorophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea
CID 108904515
1-(2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904209
1-(1-adamantyl)-3-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]urea
CID 97428542
1-(1-adamantyl)-3-[[2-(trifluoromethyl)phenyl]methylideneamino]urea
CID 4247069
1-(1-adamantyl)-3-(3,5-difluoro-4-hydroxyphenyl)urea
CID 22932395
N-(1-adamantyl)-2-fluoro-6-hydroxybenzamide
CID 104916407

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea?
The IUPAC name of 1-(1-adamantyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea (CID 108904449) is 1-(1-adamantyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea.
What is the SMILES notation for 1-(1-adamantyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea?
The canonical SMILES for 1-(1-adamantyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea is O=C(N/C=C/c1ccccc1F)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea?
The InChIKey is WGRRUPFWLTUVNX-AATRIKPKSA-N. The full InChI is InChI=1S/C19H23FN2O/c20-17-4-2-1-3-16(17)5-6-21-18(23)22-19-10-13-7-14(11-19)9-15(8-13)12-19/h1-6,13-15H,7-12H2,(H2,21,22,23)/b6-5+.
What are the key properties of 1-(1-adamantyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea?
1-(1-adamantyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea has a molecular weight of 314.40 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea is sourced from PubChem (CID 108904449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).