N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide

C15H19NO — CID 958830

IUPACN-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C15H19NO/c1-10-4-2-3-5-13(10)15(17)16-14-9-11-6-7-12(14)8-11/h2-5,11-12,14H,6-9H2,1H3,(H,16,17)/t11-,12+,14-/m1/s1
InChIKeyZTIONCYYHVIAPN-MBNYWOFBSA-N
MW229.32 g/mol
LogP2.91
Rot. Bonds2

About N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide

N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide (PubChem CID 958830) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide
PubChem CID958830
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C15H19NO/c1-10-4-2-3-5-13(10)15(17)16-14-9-11-6-7-12(14)8-11/h2-5,11-12,14H,6-9H2,1H3,(H,16,17)/t11-,12+,14-/m1/s1
InChIKeyZTIONCYYHVIAPN-MBNYWOFBSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-methylbenzamide
CID 80710467
N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-methylbenzamide
CID 82829980
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-iodobenzamide
CID 23306993
2-amino-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 71624225
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1338021
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 6980977
2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide
CID 979091
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methyl-3-nitrobenzamide
CID 6952825
N-(2-aminocyclopropyl)-2-methylbenzamide
CID 43593725
N-[(Z)-3-(2-bicyclo[2.2.1]heptanylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-methylbenzamide
CID 133224844
N-[(Z)-3-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-2-methylbenzamide
CID 125063861
2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 804412

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide?
The IUPAC name of N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide (CID 958830) is N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide.
What is the SMILES notation for N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide?
The canonical SMILES for N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide is Cc1ccccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H]1C2.
What is the InChIKey of N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide?
The InChIKey is ZTIONCYYHVIAPN-MBNYWOFBSA-N. The full InChI is InChI=1S/C15H19NO/c1-10-4-2-3-5-13(10)15(17)16-14-9-11-6-7-12(14)8-11/h2-5,11-12,14H,6-9H2,1H3,(H,16,17)/t11-,12+,14-/m1/s1.
What are the key properties of N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide?
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide has a molecular weight of 229.32 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide is sourced from PubChem (CID 958830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).