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

C15H16F3NO — CID 47124816

IUPACN-[4-(trifluoromethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C1CC2CCC1C2
InChIInChI=1S/C15H16F3NO/c16-15(17,18)11-3-5-12(6-4-11)19-14(20)13-8-9-1-2-10(13)7-9/h3-6,9-10,13H,1-2,7-8H2,(H,19,20)
InChIKeyHVPIMGRMOWXVLF-UHFFFAOYSA-N
MW283.29 g/mol
LogP4.08
Rot. Bonds2

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

N-[4-(trifluoromethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 47124816) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID47124816
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC NameN-[4-(trifluoromethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C1CC2CCC1C2
InChIInChI=1S/C15H16F3NO/c16-15(17,18)11-3-5-12(6-4-11)19-14(20)13-8-9-1-2-10(13)7-9/h3-6,9-10,13H,1-2,7-8H2,(H,19,20)
InChIKeyHVPIMGRMOWXVLF-UHFFFAOYSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 47124816) is N-[4-(trifluoromethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)C1CC2CCC1C2.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is HVPIMGRMOWXVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO/c16-15(17,18)11-3-5-12(6-4-11)19-14(20)13-8-9-1-2-10(13)7-9/h3-6,9-10,13H,1-2,7-8H2,(H,19,20).
What are the key properties of N-[4-(trifluoromethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[4-(trifluoromethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 47124816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).