(1S,2S,4S,5S)-N-[3-(trifluoromethyl)phenyl]tricyclo[3.2.1.02,4]octane-3-carboxamide

C16H16F3NO — CID 6922380

IUPAC(1S,2S,4S,5S)-N-[3-(trifluoromethyl)phenyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12
InChIInChI=1S/C16H16F3NO/c17-16(18,19)10-2-1-3-11(7-10)20-15(21)14-12-8-4-5-9(6-8)13(12)14/h1-3,7-9,12-14H,4-6H2,(H,20,21)/t8-,9-,12-,13-/m0/s1
InChIKeySAILSUJYPAJUGC-VDUILEQBSA-N
MW295.30 g/mol
LogP3.94
Rot. Bonds2

About (1S,2S,4S,5S)-N-[3-(trifluoromethyl)phenyl]tricyclo[3.2.1.02,4]octane-3-carboxamide

(1S,2S,4S,5S)-N-[3-(trifluoromethyl)phenyl]tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 6922380) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is (1S,2S,4S,5S)-N-[3-(trifluoromethyl)phenyl]tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound Name(1S,2S,4S,5S)-N-[3-(trifluoromethyl)phenyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID6922380
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name(1S,2S,4S,5S)-N-[3-(trifluoromethyl)phenyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12
InChIInChI=1S/C16H16F3NO/c17-16(18,19)10-2-1-3-11(7-10)20-15(21)14-12-8-4-5-9(6-8)13(12)14/h1-3,7-9,12-14H,4-6H2,(H,20,21)/t8-,9-,12-,13-/m0/s1
InChIKeySAILSUJYPAJUGC-VDUILEQBSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,2S,4S,5S)-N-[3-(trifluoromethyl)phenyl]tricyclo[3.2.1.02,4]octane-3-carboxamide with MolForge

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Related Compounds

(1S,2S,3R,4S)-3-[[3-(trifluoromethyl)phenyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 18557826
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
N-[3-(trifluoromethyl)phenyl]bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 2856990
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 120604991
3-[[3-(trifluoromethyl)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 2829240
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
(1R,2R,4R,5R)-N-(3-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98160421
(1S,2R,3S,4R)-3-[[3-(trifluoromethyl)phenyl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 11922432
2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 53270434
2,4-dioxo-N-[3-(trifluoromethyl)phenyl]bicyclo[3.2.1]octane-3-carboxamide
CID 11587867
(1R,3R,6S,7R,9R)-5-oxo-N-[3-(trifluoromethyl)phenyl]-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
CID 11881769
3,3-difluoro-N-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 155823176

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S,5S)-N-[3-(trifluoromethyl)phenyl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of (1S,2S,4S,5S)-N-[3-(trifluoromethyl)phenyl]tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 6922380) is (1S,2S,4S,5S)-N-[3-(trifluoromethyl)phenyl]tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for (1S,2S,4S,5S)-N-[3-(trifluoromethyl)phenyl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for (1S,2S,4S,5S)-N-[3-(trifluoromethyl)phenyl]tricyclo[3.2.1.02,4]octane-3-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12.
What is the InChIKey of (1S,2S,4S,5S)-N-[3-(trifluoromethyl)phenyl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is SAILSUJYPAJUGC-VDUILEQBSA-N. The full InChI is InChI=1S/C16H16F3NO/c17-16(18,19)10-2-1-3-11(7-10)20-15(21)14-12-8-4-5-9(6-8)13(12)14/h1-3,7-9,12-14H,4-6H2,(H,20,21)/t8-,9-,12-,13-/m0/s1.
What are the key properties of (1S,2S,4S,5S)-N-[3-(trifluoromethyl)phenyl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
(1S,2S,4S,5S)-N-[3-(trifluoromethyl)phenyl]tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S,5S)-N-[3-(trifluoromethyl)phenyl]tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 6922380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).