2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide

C19H26N2O — CID 98773906

IUPAC2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccccc1N1CCCC1
InChIInChI=1S/C19H26N2O/c22-19(13-16-12-14-7-8-15(16)11-14)20-17-5-1-2-6-18(17)21-9-3-4-10-21/h1-2,5-6,14-16H,3-4,7-13H2,(H,20,22)/t14-,15-,16+/m0/s1
InChIKeyKQYDDUPLBLHMRR-HRCADAONSA-N
MW298.43 g/mol
LogP4.05
Rot. Bonds4

About 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide

2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 98773906) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide
PubChem CID98773906
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccccc1N1CCCC1
InChIInChI=1S/C19H26N2O/c22-19(13-16-12-14-7-8-15(16)11-14)20-17-5-1-2-6-18(17)21-9-3-4-10-21/h1-2,5-6,14-16H,3-4,7-13H2,(H,20,22)/t14-,15-,16+/m0/s1
InChIKeyKQYDDUPLBLHMRR-HRCADAONSA-N
XLogP4.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
2-[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]benzamide
CID 98435271
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]acetamide
CID 126801505
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 98312655
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(azepan-1-yl)phenyl]acetamide;dihydrochloride
CID 119842083
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-piperidin-1-ylphenyl)acetamide;dihydrochloride
CID 119828036
2-(azetidin-3-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 64611833
4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-3-hydroxybenzoic acid
CID 60825331
2-(1-adamantyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 2958595
5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]benzoic acid
CID 63115747
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[1-oxo-2-(2-piperidin-1-ylethyl)isoquinolin-5-yl]acetamide
CID 59579355

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide (CID 98773906) is 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide is O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccccc1N1CCCC1.
What is the InChIKey of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is KQYDDUPLBLHMRR-HRCADAONSA-N. The full InChI is InChI=1S/C19H26N2O/c22-19(13-16-12-14-7-8-15(16)11-14)20-17-5-1-2-6-18(17)21-9-3-4-10-21/h1-2,5-6,14-16H,3-4,7-13H2,(H,20,22)/t14-,15-,16+/m0/s1.
What are the key properties of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide?
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 298.43 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 98773906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).