N-(4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide

C14H16FNO — CID 2853079

IUPACN-(4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CC2CCC1C2
InChIInChI=1S/C14H16FNO/c15-11-3-5-12(6-4-11)16-14(17)13-8-9-1-2-10(13)7-9/h3-6,9-10,13H,1-2,7-8H2,(H,16,17)
InChIKeyIDFUIUBXUVJXME-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.20
Rot. Bonds2

About N-(4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 2853079) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is N-(4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID2853079
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC NameN-(4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CC2CCC1C2
InChIInChI=1S/C14H16FNO/c15-11-3-5-12(6-4-11)16-14(17)13-8-9-1-2-10(13)7-9/h3-6,9-10,13H,1-2,7-8H2,(H,16,17)
InChIKeyIDFUIUBXUVJXME-UHFFFAOYSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 2853079) is N-(4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide is O=C(Nc1ccc(F)cc1)C1CC2CCC1C2.
What is the InChIKey of N-(4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is IDFUIUBXUVJXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c15-11-3-5-12(6-4-11)16-14(17)13-8-9-1-2-10(13)7-9/h3-6,9-10,13H,1-2,7-8H2,(H,16,17).
What are the key properties of N-(4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 233.29 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 2853079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).