(1S,5R)-N-(4-fluoro-2-methylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide

C17H20FNO2 — CID 8863813

IUPAC(1S,5R)-N-(4-fluoro-2-methylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCc1cc(F)ccc1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O
InChIInChI=1S/C17H20FNO2/c1-10-7-14(18)5-6-15(10)19-17(21)13-8-11-3-2-4-12(9-13)16(11)20/h5-7,11-13H,2-4,8-9H2,1H3,(H,19,21)/t11-,12+,13?
InChIKeyLNIQMMIVFAOVFC-FUNVUKJBSA-N
MW289.35 g/mol
LogP3.47
Rot. Bonds2

About (1S,5R)-N-(4-fluoro-2-methylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide

(1S,5R)-N-(4-fluoro-2-methylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 8863813) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is (1S,5R)-N-(4-fluoro-2-methylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-(4-fluoro-2-methylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
PubChem CID8863813
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name(1S,5R)-N-(4-fluoro-2-methylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCc1cc(F)ccc1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O
InChIInChI=1S/C17H20FNO2/c1-10-7-14(18)5-6-15(10)19-17(21)13-8-11-3-2-4-12(9-13)16(11)20/h5-7,11-13H,2-4,8-9H2,1H3,(H,19,21)/t11-,12+,13?
InChIKeyLNIQMMIVFAOVFC-FUNVUKJBSA-N
XLogP3.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5R)-N-(5-fluoro-2-methylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 51451511
(1R,5R)-N-(5-fluoro-2-methylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 98398540
N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide
CID 17069288
(1R,5S)-N-(2,5-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 8702374
N-(3,4-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 17434309
(1R,5S)-N-(2,6-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 51544633
(1S)-N-(4-fluoro-2-methylphenyl)cyclohex-3-ene-1-carboxamide
CID 8865468
2-amino-N-(4-fluoro-2-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119679603
(1R,5S)-N-(3,5-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 9097108
(1S,5R)-N-(2-methoxy-5-methylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 9098264
trans-(1R,2R)-2-[(4-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 7472991
3-[(5-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782434

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-(4-fluoro-2-methylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of (1S,5R)-N-(4-fluoro-2-methylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide (CID 8863813) is (1S,5R)-N-(4-fluoro-2-methylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for (1S,5R)-N-(4-fluoro-2-methylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for (1S,5R)-N-(4-fluoro-2-methylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide is Cc1cc(F)ccc1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O.
What is the InChIKey of (1S,5R)-N-(4-fluoro-2-methylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is LNIQMMIVFAOVFC-FUNVUKJBSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-10-7-14(18)5-6-15(10)19-17(21)13-8-11-3-2-4-12(9-13)16(11)20/h5-7,11-13H,2-4,8-9H2,1H3,(H,19,21)/t11-,12+,13?.
What are the key properties of (1S,5R)-N-(4-fluoro-2-methylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
(1S,5R)-N-(4-fluoro-2-methylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 289.35 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-(4-fluoro-2-methylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 8863813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).