2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dichloro-4-methyl-3-pyridinyl)acetamide

C15H18Cl2N2O — CID 103738252

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dichloro-4-methyl-3-pyridinyl)acetamide
SMILESCc1cc(Cl)nc(Cl)c1NC(=O)CC1CC2CCC1C2
InChIInChI=1S/C15H18Cl2N2O/c1-8-4-12(16)18-15(17)14(8)19-13(20)7-11-6-9-2-3-10(11)5-9/h4,9-11H,2-3,5-7H2,1H3,(H,19,20)
InChIKeyIOLKQIRXNQEVHU-UHFFFAOYSA-N
MW313.23 g/mol
LogP4.46
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dichloro-4-methyl-3-pyridinyl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dichloro-4-methyl-3-pyridinyl)acetamide (PubChem CID 103738252) has the molecular formula C15H18Cl2N2O and a molecular weight of 313.23 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dichloro-4-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dichloro-4-methyl-3-pyridinyl)acetamide
PubChem CID103738252
Molecular FormulaC15H18Cl2N2O
Molecular Weight313.23 g/mol
Exact Mass312.08
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dichloro-4-methyl-3-pyridinyl)acetamide
SMILESCc1cc(Cl)nc(Cl)c1NC(=O)CC1CC2CCC1C2
InChIInChI=1S/C15H18Cl2N2O/c1-8-4-12(16)18-15(17)14(8)19-13(20)7-11-6-9-2-3-10(11)5-9/h4,9-11H,2-3,5-7H2,1H3,(H,19,20)
InChIKeyIOLKQIRXNQEVHU-UHFFFAOYSA-N
XLogP4.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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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-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 42908083
N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-(thian-4-yl)acetamide
CID 114051060
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-(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-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 4810900
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 100573764
2-(2-bicyclo[2.2.1]heptanyl)-N-(5-bromo-2-chloro-3-pyridinyl)acetamide
CID 102979480
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 19335808
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11916679

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dichloro-4-methyl-3-pyridinyl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dichloro-4-methyl-3-pyridinyl)acetamide (CID 103738252) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dichloro-4-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dichloro-4-methyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dichloro-4-methyl-3-pyridinyl)acetamide is Cc1cc(Cl)nc(Cl)c1NC(=O)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dichloro-4-methyl-3-pyridinyl)acetamide?
The InChIKey is IOLKQIRXNQEVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O/c1-8-4-12(16)18-15(17)14(8)19-13(20)7-11-6-9-2-3-10(11)5-9/h4,9-11H,2-3,5-7H2,1H3,(H,19,20).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dichloro-4-methyl-3-pyridinyl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dichloro-4-methyl-3-pyridinyl)acetamide has a molecular weight of 313.23 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dichloro-4-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 103738252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).