2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)acetamide

C18H22ClNO — CID 114302171

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)acetamide
SMILESO=C(CC1CC2CCC1C2)NC1c2ccccc2CC1Cl
InChIInChI=1S/C18H22ClNO/c19-16-9-13-3-1-2-4-15(13)18(16)20-17(21)10-14-8-11-5-6-12(14)7-11/h1-4,11-12,14,16,18H,5-10H2,(H,20,21)
InChIKeyVSIPVJRMQQGSFE-UHFFFAOYSA-N
MW303.83 g/mol
LogP3.83
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)acetamide (PubChem CID 114302171) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)acetamide
PubChem CID114302171
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)acetamide
SMILESO=C(CC1CC2CCC1C2)NC1c2ccccc2CC1Cl
InChIInChI=1S/C18H22ClNO/c19-16-9-13-3-1-2-4-15(13)18(16)20-17(21)10-14-8-11-5-6-12(14)7-11/h1-4,11-12,14,16,18H,5-10H2,(H,20,21)
InChIKeyVSIPVJRMQQGSFE-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)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

N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide
CID 114302037
N-(2-amino-2,3-dihydro-1H-inden-1-yl)-2-cyclopropylacetamide
CID 63754177
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methylphenyl)acetamide
CID 11923124
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-iodophenyl)acetamide
CID 18556276
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-(3-fluorophenyl)acetamide
CID 114302053
2-(2-bicyclo[2.2.1]heptanyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)acetamide
CID 51211948
N-benzyl-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 7732664
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-ethylphenyl)acetamide
CID 7923830
2-[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]benzamide
CID 98435271
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2-chlorophenyl)methyl]acetamide
CID 9165301
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 98773906
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-1-phenylethyl)acetamide
CID 114300183

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)acetamide (CID 114302171) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)acetamide is O=C(CC1CC2CCC1C2)NC1c2ccccc2CC1Cl.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)acetamide?
The InChIKey is VSIPVJRMQQGSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c19-16-9-13-3-1-2-4-15(13)18(16)20-17(21)10-14-8-11-5-6-12(14)7-11/h1-4,11-12,14,16,18H,5-10H2,(H,20,21).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)acetamide has a molecular weight of 303.83 g/mol, XLogP of 3.83, 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-2,3-dihydro-1H-inden-1-yl)acetamide is sourced from PubChem (CID 114302171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).