N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2-oxo-2-(2-phenyl-1H-indol-3-yl)acetamide

C24H24N2O2 — CID 7107170

IUPACN-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2-oxo-2-(2-phenyl-1H-indol-3-yl)acetamide
SMILESO=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C24H24N2O2/c27-23(24(28)25-14-18-13-15-10-11-17(18)12-15)21-19-8-4-5-9-20(19)26-22(21)16-6-2-1-3-7-16/h1-9,15,17-18,26H,10-14H2,(H,25,28)/t15-,17-,18-/m0/s1
InChIKeyOATWVEOEZQIVDY-SZMVWBNQSA-N
MW372.47 g/mol
LogP4.57
Rot. Bonds5

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

N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2-oxo-2-(2-phenyl-1H-indol-3-yl)acetamide (PubChem CID 7107170) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2-oxo-2-(2-phenyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2-oxo-2-(2-phenyl-1H-indol-3-yl)acetamide
PubChem CID7107170
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC NameN-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2-oxo-2-(2-phenyl-1H-indol-3-yl)acetamide
SMILESO=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C24H24N2O2/c27-23(24(28)25-14-18-13-15-10-11-17(18)12-15)21-19-8-4-5-9-20(19)26-22(21)16-6-2-1-3-7-16/h1-9,15,17-18,26H,10-14H2,(H,25,28)/t15-,17-,18-/m0/s1
InChIKeyOATWVEOEZQIVDY-SZMVWBNQSA-N
XLogP4.57
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2-oxo-2-(2-phenyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2-oxo-2-(2-phenyl-1H-indol-3-yl)acetamide (CID 7107170) is N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2-oxo-2-(2-phenyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2-oxo-2-(2-phenyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2-oxo-2-(2-phenyl-1H-indol-3-yl)acetamide is O=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2-oxo-2-(2-phenyl-1H-indol-3-yl)acetamide?
The InChIKey is OATWVEOEZQIVDY-SZMVWBNQSA-N. The full InChI is InChI=1S/C24H24N2O2/c27-23(24(28)25-14-18-13-15-10-11-17(18)12-15)21-19-8-4-5-9-20(19)26-22(21)16-6-2-1-3-7-16/h1-9,15,17-18,26H,10-14H2,(H,25,28)/t15-,17-,18-/m0/s1.
What are the key properties of N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2-oxo-2-(2-phenyl-1H-indol-3-yl)acetamide?
N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2-oxo-2-(2-phenyl-1H-indol-3-yl)acetamide has a molecular weight of 372.47 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2-oxo-2-(2-phenyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 7107170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).