9-amino-N-(3,3,3-trifluoro-1-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C19H26ClF3N2O — CID 120986857

IUPAC9-amino-N-(3,3,3-trifluoro-1-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)NC(CC(F)(F)F)c1ccccc1)C2
InChIInChI=1S/C19H25F3N2O.ClH/c20-19(21,22)11-16(12-5-2-1-3-6-12)24-18(25)15-9-13-7-4-8-14(10-15)17(13)23;/h1-3,5-6,13-17H,4,7-11,23H2,(H,24,25);1H
InChIKeyYVHJJYWRAVDRMO-UHFFFAOYSA-N
MW390.88 g/mol
LogP4.37
Rot. Bonds4

About 9-amino-N-(3,3,3-trifluoro-1-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-(3,3,3-trifluoro-1-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120986857) has the molecular formula C19H26ClF3N2O and a molecular weight of 390.88 g/mol. Its IUPAC name is 9-amino-N-(3,3,3-trifluoro-1-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-(3,3,3-trifluoro-1-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120986857
Molecular FormulaC19H26ClF3N2O
Molecular Weight390.88 g/mol
Exact Mass390.17
IUPAC Name9-amino-N-(3,3,3-trifluoro-1-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)NC(CC(F)(F)F)c1ccccc1)C2
InChIInChI=1S/C19H25F3N2O.ClH/c20-19(21,22)11-16(12-5-2-1-3-6-12)24-18(25)15-9-13-7-4-8-14(10-15)17(13)23;/h1-3,5-6,13-17H,4,7-11,23H2,(H,24,25);1H
InChIKeyYVHJJYWRAVDRMO-UHFFFAOYSA-N
XLogP4.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.88
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 9-amino-N-(3,3,3-trifluoro-1-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride with MolForge

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Related Compounds

9-amino-N-(3-phenylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120991629
9-amino-N-[1-(4-chlorophenyl)propyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120984546
9-amino-N-(2-methyl-2-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985617
9-amino-N-(1-cyclopropyl-2-phenylethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990350
9-amino-N-(2-benzamidoethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984907
9-amino-N-(2,2,2-trifluoroethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120985035
9-amino-N-(1-anilino-1-oxopropan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989646
N-(2-hydroxy-1-phenylethyl)cyclobutanecarboxamide
CID 63184812
N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide
CID 103945021
3-amino-N-[2-(dimethylamino)-1-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119836139
9-amino-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986975
9-amino-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 9-amino-N-(3,3,3-trifluoro-1-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-(3,3,3-trifluoro-1-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120986857) is 9-amino-N-(3,3,3-trifluoro-1-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-(3,3,3-trifluoro-1-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-(3,3,3-trifluoro-1-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is Cl.NC1C2CCCC1CC(C(=O)NC(CC(F)(F)F)c1ccccc1)C2.
What is the InChIKey of 9-amino-N-(3,3,3-trifluoro-1-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is YVHJJYWRAVDRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O.ClH/c20-19(21,22)11-16(12-5-2-1-3-6-12)24-18(25)15-9-13-7-4-8-14(10-15)17(13)23;/h1-3,5-6,13-17H,4,7-11,23H2,(H,24,25);1H.
What are the key properties of 9-amino-N-(3,3,3-trifluoro-1-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-(3,3,3-trifluoro-1-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 390.88 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-(3,3,3-trifluoro-1-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120986857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).