2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide

C19H21NO — CID 23307105

IUPAC2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide
SMILESO=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H21NO/c21-19(12-17-10-13-5-6-16(17)9-13)20-18-8-7-14-3-1-2-4-15(14)11-18/h1-4,7-8,11,13,16-17H,5-6,9-10,12H2,(H,20,21)/t13-,16-,17-/m1/s1
InChIKeyXREVVWWDNFHWDU-KBRIMQKVSA-N
MW279.38 g/mol
LogP4.60
Rot. Bonds3

About 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide

2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide (PubChem CID 23307105) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide
PubChem CID23307105
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide
SMILESO=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H21NO/c21-19(12-17-10-13-5-6-16(17)9-13)20-18-8-7-14-3-1-2-4-15(14)11-18/h1-4,7-8,11,13,16-17H,5-6,9-10,12H2,(H,20,21)/t13-,16-,17-/m1/s1
InChIKeyXREVVWWDNFHWDU-KBRIMQKVSA-N
XLogP4.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide
CID 7740170
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 23307090
N-(3-acetamidophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 18074570
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-fluorophenyl)acetamide
CID 7947448
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methylphenyl)acetamide
CID 7733743
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 11938722
2-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 4811761
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 11932194
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 11915186
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 42904819
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-methylsulfanylphenyl)acetamide
CID 11918482

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide (CID 23307105) is 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide is O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide?
The InChIKey is XREVVWWDNFHWDU-KBRIMQKVSA-N. The full InChI is InChI=1S/C19H21NO/c21-19(12-17-10-13-5-6-16(17)9-13)20-18-8-7-14-3-1-2-4-15(14)11-18/h1-4,7-8,11,13,16-17H,5-6,9-10,12H2,(H,20,21)/t13-,16-,17-/m1/s1.
What are the key properties of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide?
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide has a molecular weight of 279.38 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 23307105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).