N-[1-(4-fluoronaphthalen-1-yl)ethyl]-3-hydroxyadamantane-1-carboxamide

C23H26FNO2 — CID 166208110

IUPACN-[1-(4-fluoronaphthalen-1-yl)ethyl]-3-hydroxyadamantane-1-carboxamide
SMILESCC(NC(=O)C12CC3CC(CC(O)(C3)C1)C2)c1ccc(F)c2ccccc12
InChIInChI=1S/C23H26FNO2/c1-14(17-6-7-20(24)19-5-3-2-4-18(17)19)25-21(26)22-9-15-8-16(10-22)12-23(27,11-15)13-22/h2-7,14-16,27H,8-13H2,1H3,(H,25,26)
InChIKeyVOFVMNGVMROCGR-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.49
Rot. Bonds3

About N-[1-(4-fluoronaphthalen-1-yl)ethyl]-3-hydroxyadamantane-1-carboxamide

N-[1-(4-fluoronaphthalen-1-yl)ethyl]-3-hydroxyadamantane-1-carboxamide (PubChem CID 166208110) has the molecular formula C23H26FNO2 and a molecular weight of 367.46 g/mol. Its IUPAC name is N-[1-(4-fluoronaphthalen-1-yl)ethyl]-3-hydroxyadamantane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluoronaphthalen-1-yl)ethyl]-3-hydroxyadamantane-1-carboxamide
PubChem CID166208110
Molecular FormulaC23H26FNO2
Molecular Weight367.46 g/mol
Exact Mass367.19
IUPAC NameN-[1-(4-fluoronaphthalen-1-yl)ethyl]-3-hydroxyadamantane-1-carboxamide
SMILESCC(NC(=O)C12CC3CC(CC(O)(C3)C1)C2)c1ccc(F)c2ccccc12
InChIInChI=1S/C23H26FNO2/c1-14(17-6-7-20(24)19-5-3-2-4-18(17)19)25-21(26)22-9-15-8-16(10-22)12-23(27,11-15)13-22/h2-7,14-16,27H,8-13H2,1H3,(H,25,26)
InChIKeyVOFVMNGVMROCGR-UHFFFAOYSA-N
XLogP4.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoronaphthalen-1-yl)ethyl]-3-hydroxyadamantane-1-carboxamide?
The IUPAC name of N-[1-(4-fluoronaphthalen-1-yl)ethyl]-3-hydroxyadamantane-1-carboxamide (CID 166208110) is N-[1-(4-fluoronaphthalen-1-yl)ethyl]-3-hydroxyadamantane-1-carboxamide.
What is the SMILES notation for N-[1-(4-fluoronaphthalen-1-yl)ethyl]-3-hydroxyadamantane-1-carboxamide?
The canonical SMILES for N-[1-(4-fluoronaphthalen-1-yl)ethyl]-3-hydroxyadamantane-1-carboxamide is CC(NC(=O)C12CC3CC(CC(O)(C3)C1)C2)c1ccc(F)c2ccccc12.
What is the InChIKey of N-[1-(4-fluoronaphthalen-1-yl)ethyl]-3-hydroxyadamantane-1-carboxamide?
The InChIKey is VOFVMNGVMROCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO2/c1-14(17-6-7-20(24)19-5-3-2-4-18(17)19)25-21(26)22-9-15-8-16(10-22)12-23(27,11-15)13-22/h2-7,14-16,27H,8-13H2,1H3,(H,25,26).
What are the key properties of N-[1-(4-fluoronaphthalen-1-yl)ethyl]-3-hydroxyadamantane-1-carboxamide?
N-[1-(4-fluoronaphthalen-1-yl)ethyl]-3-hydroxyadamantane-1-carboxamide has a molecular weight of 367.46 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoronaphthalen-1-yl)ethyl]-3-hydroxyadamantane-1-carboxamide is sourced from PubChem (CID 166208110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).