2-adamantyl N-(3-fluorophenyl)carbamate

C17H20FNO2 — CID 134947824

IUPAC2-adamantyl N-(3-fluorophenyl)carbamate
SMILESO=C(Nc1cccc(F)c1)OC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H20FNO2/c18-14-2-1-3-15(9-14)19-17(20)21-16-12-5-10-4-11(7-12)8-13(16)6-10/h1-3,9-13,16H,4-8H2,(H,19,20)
InChIKeyIDBOVHRFCZZEEN-UHFFFAOYSA-N
MW289.35 g/mol
LogP4.20
Rot. Bonds2

About 2-adamantyl N-(3-fluorophenyl)carbamate

2-adamantyl N-(3-fluorophenyl)carbamate (PubChem CID 134947824) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-adamantyl N-(3-fluorophenyl)carbamate.

Molecular Properties

Compound Name2-adamantyl N-(3-fluorophenyl)carbamate
PubChem CID134947824
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name2-adamantyl N-(3-fluorophenyl)carbamate
SMILESO=C(Nc1cccc(F)c1)OC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H20FNO2/c18-14-2-1-3-15(9-14)19-17(20)21-16-12-5-10-4-11(7-12)8-13(16)6-10/h1-3,9-13,16H,4-8H2,(H,19,20)
InChIKeyIDBOVHRFCZZEEN-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-adamantyl N-(3-fluorophenyl)carbamate?
The IUPAC name of 2-adamantyl N-(3-fluorophenyl)carbamate (CID 134947824) is 2-adamantyl N-(3-fluorophenyl)carbamate.
What is the SMILES notation for 2-adamantyl N-(3-fluorophenyl)carbamate?
The canonical SMILES for 2-adamantyl N-(3-fluorophenyl)carbamate is O=C(Nc1cccc(F)c1)OC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-adamantyl N-(3-fluorophenyl)carbamate?
The InChIKey is IDBOVHRFCZZEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c18-14-2-1-3-15(9-14)19-17(20)21-16-12-5-10-4-11(7-12)8-13(16)6-10/h1-3,9-13,16H,4-8H2,(H,19,20).
What are the key properties of 2-adamantyl N-(3-fluorophenyl)carbamate?
2-adamantyl N-(3-fluorophenyl)carbamate has a molecular weight of 289.35 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl N-(3-fluorophenyl)carbamate is sourced from PubChem (CID 134947824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).