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

C14H16INO — CID 23306993

IUPACN-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-iodobenzamide
SMILESO=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1I
InChIInChI=1S/C14H16INO/c15-12-4-2-1-3-11(12)14(17)16-13-8-9-5-6-10(13)7-9/h1-4,9-10,13H,5-8H2,(H,16,17)/t9-,10-,13+/m1/s1
InChIKeyQGNJPEQQVQHONV-BREBYQMCSA-N
MW341.19 g/mol
LogP3.21
Rot. Bonds2

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

N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-iodobenzamide (PubChem CID 23306993) has the molecular formula C14H16INO and a molecular weight of 341.19 g/mol. Its IUPAC name is N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-iodobenzamide
PubChem CID23306993
Molecular FormulaC14H16INO
Molecular Weight341.19 g/mol
Exact Mass341.03
IUPAC NameN-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-iodobenzamide
SMILESO=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1I
InChIInChI=1S/C14H16INO/c15-12-4-2-1-3-11(12)14(17)16-13-8-9-5-6-10(13)7-9/h1-4,9-10,13H,5-8H2,(H,16,17)/t9-,10-,13+/m1/s1
InChIKeyQGNJPEQQVQHONV-BREBYQMCSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide
CID 958830
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
N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-methylbenzamide
CID 82829980
N-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-methylbenzamide
CID 80710467
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-iodobenzamide
CID 2231103
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-iodobenzamide
CID 98288356
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[bis(4-hydroxyphenyl)methyl]benzamide
CID 67780844
N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 6709814
N-(2-hydroxycyclohexyl)-2-iodobenzamide
CID 62365410
2-[(2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813949

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-iodobenzamide?
The IUPAC name of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-iodobenzamide (CID 23306993) is N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-iodobenzamide.
What is the SMILES notation for N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-iodobenzamide?
The canonical SMILES for N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-iodobenzamide is O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1I.
What is the InChIKey of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-iodobenzamide?
The InChIKey is QGNJPEQQVQHONV-BREBYQMCSA-N. The full InChI is InChI=1S/C14H16INO/c15-12-4-2-1-3-11(12)14(17)16-13-8-9-5-6-10(13)7-9/h1-4,9-10,13H,5-8H2,(H,16,17)/t9-,10-,13+/m1/s1.
What are the key properties of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-iodobenzamide?
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-iodobenzamide has a molecular weight of 341.19 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-iodobenzamide is sourced from PubChem (CID 23306993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).