2-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide

C24H28N2O2 — CID 98298900

IUPAC2-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1
InChIInChI=1S/C24H28N2O2/c1-16(18-7-3-2-4-8-18)25-24(28)21-9-5-6-10-22(21)26-23(27)15-20-14-17-11-12-19(20)13-17/h2-10,16-17,19-20H,11-15H2,1H3,(H,25,28)(H,26,27)/t16-,17-,19-,20-/m0/s1
InChIKeyVNMBCNYYGSCKPZ-ZULIPRJHSA-N
MW376.50 g/mol
LogP4.94
Rot. Bonds6

About 2-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide

2-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 98298900) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
PubChem CID98298900
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name2-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1
InChIInChI=1S/C24H28N2O2/c1-16(18-7-3-2-4-8-18)25-24(28)21-9-5-6-10-22(21)26-23(27)15-20-14-17-11-12-19(20)13-17/h2-10,16-17,19-20H,11-15H2,1H3,(H,25,28)(H,26,27)/t16-,17-,19-,20-/m0/s1
InChIKeyVNMBCNYYGSCKPZ-ZULIPRJHSA-N
XLogP4.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide with MolForge

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Related Compounds

2-[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]benzamide
CID 98435271
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methylphenyl)acetamide
CID 11923124
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-ethylphenyl)acetamide
CID 7923830
2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 43013855
2-[(2-phenylacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1210513
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 55576995
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-iodophenyl)acetamide
CID 18556276
[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl] cyclopropanecarboxylate
CID 7863523
2-(3-chloropropanoylamino)-N-(1-phenylethyl)benzamide
CID 4157890
N-(1,3-benzodioxol-5-yl)-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]benzamide
CID 4792947
2-(cyclopentanecarbonylamino)-N-[(1R)-1-phenylethyl]benzamide
CID 2578672
cis-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 8020412

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 2-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide (CID 98298900) is 2-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 2-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide is C[C@H](NC(=O)c1ccccc1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1.
What is the InChIKey of 2-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is VNMBCNYYGSCKPZ-ZULIPRJHSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-16(18-7-3-2-4-8-18)25-24(28)21-9-5-6-10-22(21)26-23(27)15-20-14-17-11-12-19(20)13-17/h2-10,16-17,19-20H,11-15H2,1H3,(H,25,28)(H,26,27)/t16-,17-,19-,20-/m0/s1.
What are the key properties of 2-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
2-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 376.50 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 98298900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).