9-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C17H22ClF3N2O2 — CID 120986614

IUPAC9-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)Nc1ccc(OC(F)F)c(F)c1)C2
InChIInChI=1S/C17H21F3N2O2.ClH/c18-13-8-12(4-5-14(13)24-17(19)20)22-16(23)11-6-9-2-1-3-10(7-11)15(9)21;/h4-5,8-11,15,17H,1-3,6-7,21H2,(H,22,23);1H
InChIKeyZRTGGKMVLQSTCP-UHFFFAOYSA-N
MW378.82 g/mol
LogP3.94
Rot. Bonds4

About 9-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120986614) has the molecular formula C17H22ClF3N2O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is 9-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120986614
Molecular FormulaC17H22ClF3N2O2
Molecular Weight378.82 g/mol
Exact Mass378.13
IUPAC Name9-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)Nc1ccc(OC(F)F)c(F)c1)C2
InChIInChI=1S/C17H21F3N2O2.ClH/c18-13-8-12(4-5-14(13)24-17(19)20)22-16(23)11-6-9-2-1-3-10(7-11)15(9)21;/h4-5,8-11,15,17H,1-3,6-7,21H2,(H,22,23);1H
InChIKeyZRTGGKMVLQSTCP-UHFFFAOYSA-N
XLogP3.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride with MolForge

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Related Compounds

9-amino-N-(3-fluoro-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986338
9-amino-N-[4-(difluoromethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983579
N-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-4-carboxamide
CID 60927755
(2S,4S)-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623737
9-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991503
3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119811117
9-amino-N-(3-bromo-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120989691
9-amino-N-[4-(2,2-difluoroethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991717
N-[4-(difluoromethoxy)-3-fluorophenyl]-5-oxopyrrolidine-3-carboxamide
CID 78981903
N-(5-acetamido-2-methoxyphenyl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984318
N-[4-(difluoromethoxy)-3-fluorophenyl]-6-oxopiperidine-3-carboxamide
CID 112732263
N-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-2-carboxamide
CID 60927756

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120986614) is 9-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is Cl.NC1C2CCCC1CC(C(=O)Nc1ccc(OC(F)F)c(F)c1)C2.
What is the InChIKey of 9-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is ZRTGGKMVLQSTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2.ClH/c18-13-8-12(4-5-14(13)24-17(19)20)22-16(23)11-6-9-2-1-3-10(7-11)15(9)21;/h4-5,8-11,15,17H,1-3,6-7,21H2,(H,22,23);1H.
What are the key properties of 9-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 378.82 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120986614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).