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

C17H23ClF2N2O2 — CID 120983579

IUPAC9-amino-N-[4-(difluoromethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)Nc1ccc(OC(F)F)cc1)C2
InChIInChI=1S/C17H22F2N2O2.ClH/c18-17(19)23-14-6-4-13(5-7-14)21-16(22)12-8-10-2-1-3-11(9-12)15(10)20;/h4-7,10-12,15,17H,1-3,8-9,20H2,(H,21,22);1H
InChIKeyLPJYYDRYINTPJQ-UHFFFAOYSA-N
MW360.83 g/mol
LogP3.80
Rot. Bonds4

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

9-amino-N-[4-(difluoromethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120983579) has the molecular formula C17H23ClF2N2O2 and a molecular weight of 360.83 g/mol. Its IUPAC name is 9-amino-N-[4-(difluoromethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[4-(difluoromethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120983579
Molecular FormulaC17H23ClF2N2O2
Molecular Weight360.83 g/mol
Exact Mass360.14
IUPAC Name9-amino-N-[4-(difluoromethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)Nc1ccc(OC(F)F)cc1)C2
InChIInChI=1S/C17H22F2N2O2.ClH/c18-17(19)23-14-6-4-13(5-7-14)21-16(22)12-8-10-2-1-3-11(9-12)15(10)20;/h4-7,10-12,15,17H,1-3,8-9,20H2,(H,21,22);1H
InChIKeyLPJYYDRYINTPJQ-UHFFFAOYSA-N
XLogP3.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.83
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-amino-N-[4-(2,2-difluoroethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991717
3-amino-N-[4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119676533
9-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986614
9-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985118
9-amino-N-[4-(oxan-4-ylmethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990360
(2S,4S)-N-[4-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616787
(3R)-N-[4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 81123871
9-amino-N-(3-fluoro-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986338
N-[4-(difluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 47124860
N-[4-(acetamidomethyl)phenyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide
CID 120989794
9-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984328
9-amino-N-[3-(2-methylpropanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[4-(difluoromethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[4-(difluoromethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120983579) is 9-amino-N-[4-(difluoromethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[4-(difluoromethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[4-(difluoromethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is Cl.NC1C2CCCC1CC(C(=O)Nc1ccc(OC(F)F)cc1)C2.
What is the InChIKey of 9-amino-N-[4-(difluoromethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is LPJYYDRYINTPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O2.ClH/c18-17(19)23-14-6-4-13(5-7-14)21-16(22)12-8-10-2-1-3-11(9-12)15(10)20;/h4-7,10-12,15,17H,1-3,8-9,20H2,(H,21,22);1H.
What are the key properties of 9-amino-N-[4-(difluoromethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[4-(difluoromethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 360.83 g/mol, XLogP of 3.80, 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)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120983579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).