9-amino-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide

C20H27F3N2O — CID 120989623

IUPAC9-amino-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCC(Cc1ccc(C(F)(F)F)cc1)NC(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C20H27F3N2O/c1-12(9-13-5-7-17(8-6-13)20(21,22)23)25-19(26)16-10-14-3-2-4-15(11-16)18(14)24/h5-8,12,14-16,18H,2-4,9-11,24H2,1H3,(H,25,26)
InChIKeyHOZSWSVMHJMCFX-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.91
Rot. Bonds4

About 9-amino-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120989623) has the molecular formula C20H27F3N2O and a molecular weight of 368.44 g/mol. Its IUPAC name is 9-amino-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120989623
Molecular FormulaC20H27F3N2O
Molecular Weight368.44 g/mol
Exact Mass368.21
IUPAC Name9-amino-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCC(Cc1ccc(C(F)(F)F)cc1)NC(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C20H27F3N2O/c1-12(9-13-5-7-17(8-6-13)20(21,22)23)25-19(26)16-10-14-3-2-4-15(11-16)18(14)24/h5-8,12,14-16,18H,2-4,9-11,24H2,1H3,(H,25,26)
InChIKeyHOZSWSVMHJMCFX-UHFFFAOYSA-N
XLogP3.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide
CID 119294903
9-amino-N-propan-2-ylbicyclo[3.3.1]nonane-3-carboxamide
CID 120983266
9-amino-N-[[3-(trifluoromethyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983719
(2R,4S)-4-hydroxy-N-[(2R)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide
CID 125138913
(2S,4S)-4-hydroxy-N-[(2R)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide
CID 125152598
9-amino-N-(1-cyclopropyl-2-phenylethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990350
9-amino-N-(2-methyl-2-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985617
9-amino-N-(3,3,3-trifluoro-1-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986857
3-hydroxy-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide
CID 111117330
9-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984689
9-amino-N-(3-phenylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120991629
3-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119734872

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120989623) is 9-amino-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide is CC(Cc1ccc(C(F)(F)F)cc1)NC(=O)C1CC2CCCC(C1)C2N.
What is the InChIKey of 9-amino-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is HOZSWSVMHJMCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O/c1-12(9-13-5-7-17(8-6-13)20(21,22)23)25-19(26)16-10-14-3-2-4-15(11-16)18(14)24/h5-8,12,14-16,18H,2-4,9-11,24H2,1H3,(H,25,26).
What are the key properties of 9-amino-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120989623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).