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

C16H18BrNO2 — CID 802950

IUPAC(1R,5S)-N-(4-bromophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1C[C@H]2CCC[C@@H](C1)C2=O
InChIInChI=1S/C16H18BrNO2/c17-13-4-6-14(7-5-13)18-16(20)12-8-10-2-1-3-11(9-12)15(10)19/h4-7,10-12H,1-3,8-9H2,(H,18,20)/t10-,11+,12?
InChIKeyHFSRQEYYGQKPTF-FOSCPWQOSA-N
MW336.23 g/mol
LogP3.78
Rot. Bonds2

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

(1R,5S)-N-(4-bromophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 802950) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is (1R,5S)-N-(4-bromophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-(4-bromophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
PubChem CID802950
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name(1R,5S)-N-(4-bromophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1C[C@H]2CCC[C@@H](C1)C2=O
InChIInChI=1S/C16H18BrNO2/c17-13-4-6-14(7-5-13)18-16(20)12-8-10-2-1-3-11(9-12)15(10)19/h4-7,10-12H,1-3,8-9H2,(H,18,20)/t10-,11+,12?
InChIKeyHFSRQEYYGQKPTF-FOSCPWQOSA-N
XLogP3.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5R)-N-(4-bromophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 802951
9-oxo-N-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 2997747
(1S,5S)-9-oxo-N-(4-phenylphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 50985806
(1S,5S)-N-(4-nitrophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 50938320
(1R,5S)-N-(3,5-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 9097108
N-(3,4-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 17434309
(1S,5R)-N-(2,3-dihydro-1H-inden-5-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 8920716
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820
N-[1-(4-bromophenyl)ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 16548243
N-[4-(azepan-1-ylsulfonyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 46797295
N-[4-[ethyl(propan-2-yl)amino]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 43010945
(1S,5S)-N-(3-acetylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 50986057

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-(4-bromophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of (1R,5S)-N-(4-bromophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide (CID 802950) is (1R,5S)-N-(4-bromophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for (1R,5S)-N-(4-bromophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for (1R,5S)-N-(4-bromophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide is O=C(Nc1ccc(Br)cc1)C1C[C@H]2CCC[C@@H](C1)C2=O.
What is the InChIKey of (1R,5S)-N-(4-bromophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is HFSRQEYYGQKPTF-FOSCPWQOSA-N. The full InChI is InChI=1S/C16H18BrNO2/c17-13-4-6-14(7-5-13)18-16(20)12-8-10-2-1-3-11(9-12)15(10)19/h4-7,10-12H,1-3,8-9H2,(H,18,20)/t10-,11+,12?.
What are the key properties of (1R,5S)-N-(4-bromophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
(1R,5S)-N-(4-bromophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 336.23 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-(4-bromophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 802950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).