2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(1,3-dihydroisoindol-2-yl)phenyl]acetamide

C23H26N2O — CID 98077490

IUPAC2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(1,3-dihydroisoindol-2-yl)phenyl]acetamide
SMILESO=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)Nc1cccc(N2Cc3ccccc3C2)c1
InChIInChI=1S/C23H26N2O/c26-23(12-20-11-16-8-9-17(20)10-16)24-21-6-3-7-22(13-21)25-14-18-4-1-2-5-19(18)15-25/h1-7,13,16-17,20H,8-12,14-15H2,(H,24,26)/t16-,17-,20+/m1/s1
InChIKeyPZOOPWGNIRNKHL-HLIPFELVSA-N
MW346.47 g/mol
LogP4.97
Rot. Bonds4

About 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(1,3-dihydroisoindol-2-yl)phenyl]acetamide

2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(1,3-dihydroisoindol-2-yl)phenyl]acetamide (PubChem CID 98077490) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(1,3-dihydroisoindol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(1,3-dihydroisoindol-2-yl)phenyl]acetamide
PubChem CID98077490
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(1,3-dihydroisoindol-2-yl)phenyl]acetamide
SMILESO=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)Nc1cccc(N2Cc3ccccc3C2)c1
InChIInChI=1S/C23H26N2O/c26-23(12-20-11-16-8-9-17(20)10-16)24-21-6-3-7-22(13-21)25-14-18-4-1-2-5-19(18)15-25/h1-7,13,16-17,20H,8-12,14-15H2,(H,24,26)/t16-,17-,20+/m1/s1
InChIKeyPZOOPWGNIRNKHL-HLIPFELVSA-N
XLogP4.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetamidophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 18074570
2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 46424968
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 11938722
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide
CID 23307105
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide
CID 7740170
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-methylsulfanylphenyl)acetamide
CID 11918482
2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(methylaminomethyl)phenyl]acetamide
CID 43601980
2-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 4811761
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 11936521
N-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 11914325
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methylphenyl)acetamide
CID 7733743
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluorophenyl)acetamide
CID 7947448

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(1,3-dihydroisoindol-2-yl)phenyl]acetamide?
The IUPAC name of 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(1,3-dihydroisoindol-2-yl)phenyl]acetamide (CID 98077490) is 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(1,3-dihydroisoindol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(1,3-dihydroisoindol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(1,3-dihydroisoindol-2-yl)phenyl]acetamide is O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)Nc1cccc(N2Cc3ccccc3C2)c1.
What is the InChIKey of 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(1,3-dihydroisoindol-2-yl)phenyl]acetamide?
The InChIKey is PZOOPWGNIRNKHL-HLIPFELVSA-N. The full InChI is InChI=1S/C23H26N2O/c26-23(12-20-11-16-8-9-17(20)10-16)24-21-6-3-7-22(13-21)25-14-18-4-1-2-5-19(18)15-25/h1-7,13,16-17,20H,8-12,14-15H2,(H,24,26)/t16-,17-,20+/m1/s1.
What are the key properties of 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(1,3-dihydroisoindol-2-yl)phenyl]acetamide?
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(1,3-dihydroisoindol-2-yl)phenyl]acetamide has a molecular weight of 346.47 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(1,3-dihydroisoindol-2-yl)phenyl]acetamide is sourced from PubChem (CID 98077490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).