2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide

C17H22ClNO — CID 42908083

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CC2CC3CCC2C3)c(Cl)c1
InChIInChI=1S/C17H22ClNO/c1-10-5-11(2)17(15(18)6-10)19-16(20)9-14-8-12-3-4-13(14)7-12/h5-6,12-14H,3-4,7-9H2,1-2H3,(H,19,20)
InChIKeyOVJNBUIHSNYDIE-UHFFFAOYSA-N
MW291.82 g/mol
LogP4.72
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide (PubChem CID 42908083) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide
PubChem CID42908083
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CC2CC3CCC2C3)c(Cl)c1
InChIInChI=1S/C17H22ClNO/c1-10-5-11(2)17(15(18)6-10)19-16(20)9-14-8-12-3-4-13(14)7-12/h5-6,12-14H,3-4,7-9H2,1-2H3,(H,19,20)
InChIKeyOVJNBUIHSNYDIE-UHFFFAOYSA-N
XLogP4.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 11914356
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11916679
2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dichloro-4-methyl-3-pyridinyl)acetamide
CID 103738252
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,5-dimethylphenyl)acetamide
CID 7774532
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,5-dimethylphenyl)acetamide
CID 7774533
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 11913995
2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dimethyl-4-morpholin-4-ylphenyl)acetamide
CID 11660177
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methylphenyl)acetamide
CID 7733743
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-chloro-2,6-diethylphenyl)acetamide
CID 11934836
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methylphenyl)acetamide
CID 11923124
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide
CID 51146705
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 11913397

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide (CID 42908083) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CC2CC3CCC2C3)c(Cl)c1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The InChIKey is OVJNBUIHSNYDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c1-10-5-11(2)17(15(18)6-10)19-16(20)9-14-8-12-3-4-13(14)7-12/h5-6,12-14H,3-4,7-9H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide has a molecular weight of 291.82 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide is sourced from PubChem (CID 42908083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).