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

C18H23FN2O — CID 108870358

IUPAC1-(1-adamantylmethyl)-3-(2-fluorophenyl)urea
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)Nc1ccccc1F
InChIInChI=1S/C18H23FN2O/c19-15-3-1-2-4-16(15)21-17(22)20-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H2,20,21,22)
InChIKeyDWAZXCUGSIFGPW-UHFFFAOYSA-N
MW302.39 g/mol
LogP4.16
Rot. Bonds3

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

1-(1-adamantylmethyl)-3-(2-fluorophenyl)urea (PubChem CID 108870358) has the molecular formula C18H23FN2O and a molecular weight of 302.39 g/mol. Its IUPAC name is 1-(1-adamantylmethyl)-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-(1-adamantylmethyl)-3-(2-fluorophenyl)urea
PubChem CID108870358
Molecular FormulaC18H23FN2O
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC Name1-(1-adamantylmethyl)-3-(2-fluorophenyl)urea
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)Nc1ccccc1F
InChIInChI=1S/C18H23FN2O/c19-15-3-1-2-4-16(15)21-17(22)20-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H2,20,21,22)
InChIKeyDWAZXCUGSIFGPW-UHFFFAOYSA-N
XLogP4.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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
1-(4-Fluorobenzyl)-3-phenylurea
CID 896691
N-(Cyclohexylmethyl)-N'-phenylurea
CID 4557394
1-(4-Fluorophenyl)-3-(4-phenylbutyl)urea
CID 24818667
1-Phenyl-3-(3-phenylpropyl)urea
CID 280361
3,3'-Dicyclohexyl-1,1'-methylenebis(4,1-phenylene)diurea
CID 352756
1-(3,3-Diphenyl-allyl)-3-m-tolyl-urea
CID 44265928
N-(adamantan-2-yl)-N'-(2-fluorophenyl)urea
CID 12715309
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

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantylmethyl)-3-(2-fluorophenyl)urea?
The IUPAC name of 1-(1-adamantylmethyl)-3-(2-fluorophenyl)urea (CID 108870358) is 1-(1-adamantylmethyl)-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-(1-adamantylmethyl)-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-(1-adamantylmethyl)-3-(2-fluorophenyl)urea is O=C(NCC12CC3CC(CC(C3)C1)C2)Nc1ccccc1F.
What is the InChIKey of 1-(1-adamantylmethyl)-3-(2-fluorophenyl)urea?
The InChIKey is DWAZXCUGSIFGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O/c19-15-3-1-2-4-16(15)21-17(22)20-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H2,20,21,22).
What are the key properties of 1-(1-adamantylmethyl)-3-(2-fluorophenyl)urea?
1-(1-adamantylmethyl)-3-(2-fluorophenyl)urea has a molecular weight of 302.39 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantylmethyl)-3-(2-fluorophenyl)urea is sourced from PubChem (CID 108870358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).