4-benzamido-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzamide

C23H26N2O2 — CID 46561078

IUPAC4-benzamido-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)C1CC2CCC1C2
InChIInChI=1S/C23H26N2O2/c1-15(21-14-16-7-8-19(21)13-16)24-22(26)18-9-11-20(12-10-18)25-23(27)17-5-3-2-4-6-17/h2-6,9-12,15-16,19,21H,7-8,13-14H2,1H3,(H,24,26)(H,25,27)
InChIKeyJGMCUIUKPSQRPS-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.49
Rot. Bonds5

About 4-benzamido-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzamide

4-benzamido-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzamide (PubChem CID 46561078) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-benzamido-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzamide.

Molecular Properties

Compound Name4-benzamido-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzamide
PubChem CID46561078
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name4-benzamido-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)C1CC2CCC1C2
InChIInChI=1S/C23H26N2O2/c1-15(21-14-16-7-8-19(21)13-16)24-22(26)18-9-11-20(12-10-18)25-23(27)17-5-3-2-4-6-17/h2-6,9-12,15-16,19,21H,7-8,13-14H2,1H3,(H,24,26)(H,25,27)
InChIKeyJGMCUIUKPSQRPS-UHFFFAOYSA-N
XLogP4.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(carbamoylamino)benzamide
CID 78789513
N-[4-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]benzamide
CID 98606587
1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylurea
CID 98258446
4-benzamido-N-(1-cyclopropylethyl)benzamide
CID 134006926
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 6979705
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 98202188
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 43009019
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-methoxybenzamide
CID 98233696
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine-4-carboxamide
CID 98104808
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-methylbenzamide
CID 98205461
4-[[4-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]carbamoyl]benzoic acid
CID 129376889
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine-3-carboxamide
CID 124749087

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzamide?
The IUPAC name of 4-benzamido-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzamide (CID 46561078) is 4-benzamido-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzamide.
What is the SMILES notation for 4-benzamido-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzamide?
The canonical SMILES for 4-benzamido-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzamide is CC(NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)C1CC2CCC1C2.
What is the InChIKey of 4-benzamido-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzamide?
The InChIKey is JGMCUIUKPSQRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-15(21-14-16-7-8-19(21)13-16)24-22(26)18-9-11-20(12-10-18)25-23(27)17-5-3-2-4-6-17/h2-6,9-12,15-16,19,21H,7-8,13-14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-benzamido-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzamide?
4-benzamido-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzamide has a molecular weight of 362.47 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzamide is sourced from PubChem (CID 46561078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).