2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-chloro-2,6-diethylphenyl)acetamide

C19H26ClNO — CID 11934836

IUPAC2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-chloro-2,6-diethylphenyl)acetamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C19H26ClNO/c1-3-13-7-8-17(20)16(4-2)19(13)21-18(22)11-15-10-12-5-6-14(15)9-12/h7-8,12,14-15H,3-6,9-11H2,1-2H3,(H,21,22)/t12-,14+,15+/m0/s1
InChIKeyDIMOAPPMAXSGTB-NWANDNLSSA-N
MW319.88 g/mol
LogP5.23
Rot. Bonds5

About 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-chloro-2,6-diethylphenyl)acetamide

2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-chloro-2,6-diethylphenyl)acetamide (PubChem CID 11934836) has the molecular formula C19H26ClNO and a molecular weight of 319.88 g/mol. Its IUPAC name is 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-chloro-2,6-diethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-chloro-2,6-diethylphenyl)acetamide
PubChem CID11934836
Molecular FormulaC19H26ClNO
Molecular Weight319.88 g/mol
Exact Mass319.17
IUPAC Name2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-chloro-2,6-diethylphenyl)acetamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C19H26ClNO/c1-3-13-7-8-17(20)16(4-2)19(13)21-18(22)11-15-10-12-5-6-14(15)9-12/h7-8,12,14-15H,3-6,9-11H2,1-2H3,(H,21,22)/t12-,14+,15+/m0/s1
InChIKeyDIMOAPPMAXSGTB-NWANDNLSSA-N
XLogP5.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.88
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-chloro-2,6-diethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-ethylphenyl)acetamide
CID 7923830
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 42908083
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-[2,6-di(propan-2-yl)phenyl]acetamide
CID 4815541
N-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 11914325
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 23307154
2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dichloro-4-methyl-3-pyridinyl)acetamide
CID 103738252
1-(3-chloro-2,6-diethylphenyl)-3-cyclopropylurea
CID 47197433
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-4-fluorophenyl)acetamide
CID 11915186
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 11919743
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 18557275

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-chloro-2,6-diethylphenyl)acetamide?
The IUPAC name of 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-chloro-2,6-diethylphenyl)acetamide (CID 11934836) is 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-chloro-2,6-diethylphenyl)acetamide.
What is the SMILES notation for 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-chloro-2,6-diethylphenyl)acetamide?
The canonical SMILES for 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-chloro-2,6-diethylphenyl)acetamide is CCc1ccc(Cl)c(CC)c1NC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-chloro-2,6-diethylphenyl)acetamide?
The InChIKey is DIMOAPPMAXSGTB-NWANDNLSSA-N. The full InChI is InChI=1S/C19H26ClNO/c1-3-13-7-8-17(20)16(4-2)19(13)21-18(22)11-15-10-12-5-6-14(15)9-12/h7-8,12,14-15H,3-6,9-11H2,1-2H3,(H,21,22)/t12-,14+,15+/m0/s1.
What are the key properties of 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-chloro-2,6-diethylphenyl)acetamide?
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-chloro-2,6-diethylphenyl)acetamide has a molecular weight of 319.88 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-chloro-2,6-diethylphenyl)acetamide is sourced from PubChem (CID 11934836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).