N-[3-(trifluoromethyl)phenyl]bicyclo[6.1.0]non-4-ene-9-carboxamide

C17H18F3NO — CID 2856990

IUPACN-[3-(trifluoromethyl)phenyl]bicyclo[6.1.0]non-4-ene-9-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1C2CCC=CCCC21
InChIInChI=1S/C17H18F3NO/c18-17(19,20)11-6-5-7-12(10-11)21-16(22)15-13-8-3-1-2-4-9-14(13)15/h1-2,5-7,10,13-15H,3-4,8-9H2,(H,21,22)
InChIKeyHBJYPLARGWZWHA-UHFFFAOYSA-N
MW309.33 g/mol
LogP4.64
Rot. Bonds2

About N-[3-(trifluoromethyl)phenyl]bicyclo[6.1.0]non-4-ene-9-carboxamide

N-[3-(trifluoromethyl)phenyl]bicyclo[6.1.0]non-4-ene-9-carboxamide (PubChem CID 2856990) has the molecular formula C17H18F3NO and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]bicyclo[6.1.0]non-4-ene-9-carboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]bicyclo[6.1.0]non-4-ene-9-carboxamide
PubChem CID2856990
Molecular FormulaC17H18F3NO
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC NameN-[3-(trifluoromethyl)phenyl]bicyclo[6.1.0]non-4-ene-9-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1C2CCC=CCCC21
InChIInChI=1S/C17H18F3NO/c18-17(19,20)11-6-5-7-12(10-11)21-16(22)15-13-8-3-1-2-4-9-14(13)15/h1-2,5-7,10,13-15H,3-4,8-9H2,(H,21,22)
InChIKeyHBJYPLARGWZWHA-UHFFFAOYSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
(1S,2S,4S,5S)-N-[3-(trifluoromethyl)phenyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 6922380
(1S,2S,3R,4S)-3-[[3-(trifluoromethyl)phenyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 18557826
(4Z)-N-(3-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5285511
(1S,12R)-N-(3-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 880928
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
(1S,2R,3S,4R)-3-[[3-(trifluoromethyl)phenyl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 11922432
(1S,12R)-N-(3-acetylphenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 848278
N-(3-acetylphenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 5061534
3-[[3-(trifluoromethyl)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 2829240
(1R,4Z,8R)-N-(3-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5390129
(1R,3R,6S,7R,9R)-5-oxo-N-[3-(trifluoromethyl)phenyl]-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
CID 11881769

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]bicyclo[6.1.0]non-4-ene-9-carboxamide?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]bicyclo[6.1.0]non-4-ene-9-carboxamide (CID 2856990) is N-[3-(trifluoromethyl)phenyl]bicyclo[6.1.0]non-4-ene-9-carboxamide.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]bicyclo[6.1.0]non-4-ene-9-carboxamide?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]bicyclo[6.1.0]non-4-ene-9-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)C1C2CCC=CCCC21.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]bicyclo[6.1.0]non-4-ene-9-carboxamide?
The InChIKey is HBJYPLARGWZWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO/c18-17(19,20)11-6-5-7-12(10-11)21-16(22)15-13-8-3-1-2-4-9-14(13)15/h1-2,5-7,10,13-15H,3-4,8-9H2,(H,21,22).
What are the key properties of N-[3-(trifluoromethyl)phenyl]bicyclo[6.1.0]non-4-ene-9-carboxamide?
N-[3-(trifluoromethyl)phenyl]bicyclo[6.1.0]non-4-ene-9-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]bicyclo[6.1.0]non-4-ene-9-carboxamide is sourced from PubChem (CID 2856990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).