9-amino-N-[2-(2,3-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide

C18H24F2N2O — CID 120989710

IUPAC9-amino-N-[2-(2,3-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)NCCc1cccc(F)c1F)C2
InChIInChI=1S/C18H24F2N2O/c19-15-6-2-3-11(16(15)20)7-8-22-18(23)14-9-12-4-1-5-13(10-14)17(12)21/h2-3,6,12-14,17H,1,4-5,7-10,21H2,(H,22,23)
InChIKeyVSQDWCUWUJDEJM-UHFFFAOYSA-N
MW322.40 g/mol
LogP2.78
Rot. Bonds4

About 9-amino-N-[2-(2,3-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[2-(2,3-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120989710) has the molecular formula C18H24F2N2O and a molecular weight of 322.40 g/mol. Its IUPAC name is 9-amino-N-[2-(2,3-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[2-(2,3-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120989710
Molecular FormulaC18H24F2N2O
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Name9-amino-N-[2-(2,3-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)NCCc1cccc(F)c1F)C2
InChIInChI=1S/C18H24F2N2O/c19-15-6-2-3-11(16(15)20)7-8-22-18(23)14-9-12-4-1-5-13(10-14)17(12)21/h2-3,6,12-14,17H,1,4-5,7-10,21H2,(H,22,23)
InChIKeyVSQDWCUWUJDEJM-UHFFFAOYSA-N
XLogP2.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9-amino-N-[2-(2,6-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986567
9-amino-N-[2-(2,5-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991618
N-[2-(2,3-difluorophenyl)ethyl]cyclopropanecarboxamide;formic acid
CID 69303286
9-amino-N-[2-(2-ethoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120988860
9-amino-N-(2-benzamidoethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984907
9-amino-N-[2-(3-carbamoylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988653
3-amino-N-[2-(2-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 66031268
9-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120990795
9-amino-N-[2-(3-fluorophenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985844
9-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120984011
cis-(1S,3R)-3-[2-(2-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552892
trans-(1S,3S)-3-[2-(2-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552893

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[2-(2,3-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[2-(2,3-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120989710) is 9-amino-N-[2-(2,3-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[2-(2,3-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[2-(2,3-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide is NC1C2CCCC1CC(C(=O)NCCc1cccc(F)c1F)C2.
What is the InChIKey of 9-amino-N-[2-(2,3-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is VSQDWCUWUJDEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O/c19-15-6-2-3-11(16(15)20)7-8-22-18(23)14-9-12-4-1-5-13(10-14)17(12)21/h2-3,6,12-14,17H,1,4-5,7-10,21H2,(H,22,23).
What are the key properties of 9-amino-N-[2-(2,3-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[2-(2,3-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 322.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[2-(2,3-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120989710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).