3-amino-N-(2,2-difluoroethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C11H19ClF2N2O — CID 119752879

IUPAC3-amino-N-(2,2-difluoroethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCN(CC(F)F)C(=O)C1C2CCC(C2)C1N.Cl
InChIInChI=1S/C11H18F2N2O.ClH/c1-15(5-8(12)13)11(16)9-6-2-3-7(4-6)10(9)14;/h6-10H,2-5,14H2,1H3;1H
InChIKeyLWVVSHHAQSBKPZ-UHFFFAOYSA-N
MW268.73 g/mol
LogP1.51
Rot. Bonds3

About 3-amino-N-(2,2-difluoroethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-(2,2-difluoroethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119752879) has the molecular formula C11H19ClF2N2O and a molecular weight of 268.73 g/mol. Its IUPAC name is 3-amino-N-(2,2-difluoroethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2,2-difluoroethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119752879
Molecular FormulaC11H19ClF2N2O
Molecular Weight268.73 g/mol
Exact Mass268.12
IUPAC Name3-amino-N-(2,2-difluoroethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCN(CC(F)F)C(=O)C1C2CCC(C2)C1N.Cl
InChIInChI=1S/C11H18F2N2O.ClH/c1-15(5-8(12)13)11(16)9-6-2-3-7(4-6)10(9)14;/h6-10H,2-5,14H2,1H3;1H
InChIKeyLWVVSHHAQSBKPZ-UHFFFAOYSA-N
XLogP1.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-methyl-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119708504
3-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119749079
3-amino-N-cyclopropyl-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119722177
3-amino-N-methyl-N-(3-methylsulfanylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 114236969
3-amino-N-methyl-N-(2-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 84584219
3-amino-N-[(2,4-difluorophenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119702990
3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119841605
2-amino-N-(2,2-difluoroethyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119752873
3-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119766866
3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119683098
3-amino-N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119800594
3-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 64517297

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-difluoroethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(2,2-difluoroethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119752879) is 3-amino-N-(2,2-difluoroethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2,2-difluoroethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2,2-difluoroethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is CN(CC(F)F)C(=O)C1C2CCC(C2)C1N.Cl.
What is the InChIKey of 3-amino-N-(2,2-difluoroethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is LWVVSHHAQSBKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O.ClH/c1-15(5-8(12)13)11(16)9-6-2-3-7(4-6)10(9)14;/h6-10H,2-5,14H2,1H3;1H.
What are the key properties of 3-amino-N-(2,2-difluoroethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-(2,2-difluoroethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 268.73 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-difluoroethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119752879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).