N-[(2-fluorophenyl)methyl]adamantane-1-carboxamide

C18H22FNO — CID 4123767

IUPACN-[(2-fluorophenyl)methyl]adamantane-1-carboxamide
SMILESO=C(NCc1ccccc1F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H22FNO/c19-16-4-2-1-3-15(16)11-20-17(21)18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,20,21)
InChIKeyNEOYTCXIWHYQON-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.66
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]adamantane-1-carboxamide

N-[(2-fluorophenyl)methyl]adamantane-1-carboxamide (PubChem CID 4123767) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]adamantane-1-carboxamide
PubChem CID4123767
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[(2-fluorophenyl)methyl]adamantane-1-carboxamide
SMILESO=C(NCc1ccccc1F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H22FNO/c19-16-4-2-1-3-15(16)11-20-17(21)18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,20,21)
InChIKeyNEOYTCXIWHYQON-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]adamantane-1-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]adamantane-1-carboxamide (CID 4123767) is N-[(2-fluorophenyl)methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]adamantane-1-carboxamide is O=C(NCc1ccccc1F)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(2-fluorophenyl)methyl]adamantane-1-carboxamide?
The InChIKey is NEOYTCXIWHYQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c19-16-4-2-1-3-15(16)11-20-17(21)18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,20,21).
What are the key properties of N-[(2-fluorophenyl)methyl]adamantane-1-carboxamide?
N-[(2-fluorophenyl)methyl]adamantane-1-carboxamide has a molecular weight of 287.38 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]adamantane-1-carboxamide is sourced from PubChem (CID 4123767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).