9-amino-N-(4-fluoro-2-propoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide

C19H27FN2O2 — CID 120992611

IUPAC9-amino-N-(4-fluoro-2-propoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESCCCOc1cc(F)ccc1NC(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C19H27FN2O2/c1-2-8-24-17-11-15(20)6-7-16(17)22-19(23)14-9-12-4-3-5-13(10-14)18(12)21/h6-7,11-14,18H,2-5,8-10,21H2,1H3,(H,22,23)
InChIKeyLBGIQCZROCZQTE-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.71
Rot. Bonds5

About 9-amino-N-(4-fluoro-2-propoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-(4-fluoro-2-propoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120992611) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 9-amino-N-(4-fluoro-2-propoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-(4-fluoro-2-propoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120992611
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name9-amino-N-(4-fluoro-2-propoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESCCCOc1cc(F)ccc1NC(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C19H27FN2O2/c1-2-8-24-17-11-15(20)6-7-16(17)22-19(23)14-9-12-4-3-5-13(10-14)18(12)21/h6-7,11-14,18H,2-5,8-10,21H2,1H3,(H,22,23)
InChIKeyLBGIQCZROCZQTE-UHFFFAOYSA-N
XLogP3.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(4-methyl-2-propoxyphenyl)cyclohexane-1-carboxamide
CID 63042176
9-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985722
9-amino-N-(2,4-dimethylphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120983348
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluoro-2-propoxyphenyl)acetamide
CID 119815179
9-amino-N-(5-ethyl-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120991518
(3R)-N-(2-ethoxy-4-fluorophenyl)piperidine-3-carboxamide
CID 81124349
4-amino-N-(4-methyl-2-propoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79210955
9-amino-N-(4-methoxy-2-methylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988721
9-amino-N-(3-fluoro-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986338
9-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986441
1-[(4-fluoro-2-propoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102573
9-amino-N-(2-ethylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120993240

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-(4-fluoro-2-propoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-(4-fluoro-2-propoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide (CID 120992611) is 9-amino-N-(4-fluoro-2-propoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-(4-fluoro-2-propoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-(4-fluoro-2-propoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide is CCCOc1cc(F)ccc1NC(=O)C1CC2CCCC(C1)C2N.
What is the InChIKey of 9-amino-N-(4-fluoro-2-propoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is LBGIQCZROCZQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-2-8-24-17-11-15(20)6-7-16(17)22-19(23)14-9-12-4-3-5-13(10-14)18(12)21/h6-7,11-14,18H,2-5,8-10,21H2,1H3,(H,22,23).
What are the key properties of 9-amino-N-(4-fluoro-2-propoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-(4-fluoro-2-propoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-(4-fluoro-2-propoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120992611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).