9-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide

C19H27FN2O2 — CID 120986441

IUPAC9-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCOc1ccc(F)cc1C(C)NC(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C19H27FN2O2/c1-11(16-10-15(20)6-7-17(16)24-2)22-19(23)14-8-12-4-3-5-13(9-14)18(12)21/h6-7,10-14,18H,3-5,8-9,21H2,1-2H3,(H,22,23)
InChIKeyYFTBUZPFVRBDJC-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.17
Rot. Bonds4

About 9-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120986441) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 9-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120986441
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name9-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCOc1ccc(F)cc1C(C)NC(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C19H27FN2O2/c1-11(16-10-15(20)6-7-17(16)24-2)22-19(23)14-8-12-4-3-5-13(9-14)18(12)21/h6-7,10-14,18H,3-5,8-9,21H2,1-2H3,(H,22,23)
InChIKeyYFTBUZPFVRBDJC-UHFFFAOYSA-N
XLogP3.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119729459
9-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120990957
9-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120984029
9-amino-N-[1-(2-ethoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985375
(2S)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119292618
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119292600
3-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 63043593
9-amino-N-(3-fluoro-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986338
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]cyclobutanecarboxamide
CID 9262346
3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119691798
(2R)-2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119292617
9-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985595

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120986441) is 9-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide is COc1ccc(F)cc1C(C)NC(=O)C1CC2CCCC(C1)C2N.
What is the InChIKey of 9-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is YFTBUZPFVRBDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-11(16-10-15(20)6-7-17(16)24-2)22-19(23)14-8-12-4-3-5-13(9-14)18(12)21/h6-7,10-14,18H,3-5,8-9,21H2,1-2H3,(H,22,23).
What are the key properties of 9-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120986441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).