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

C16H20INO — CID 98288356

IUPACN-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-iodobenzamide
SMILESC[C@@H](NC(=O)c1ccccc1I)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C16H20INO/c1-10(14-9-11-6-7-12(14)8-11)18-16(19)13-4-2-3-5-15(13)17/h2-5,10-12,14H,6-9H2,1H3,(H,18,19)/t10-,11+,12+,14-/m1/s1
InChIKeyPTUYHISFNRTITL-OWTLIXCDSA-N
MW369.25 g/mol
LogP3.85
Rot. Bonds3

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

N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-iodobenzamide (PubChem CID 98288356) has the molecular formula C16H20INO and a molecular weight of 369.25 g/mol. Its IUPAC name is N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-iodobenzamide
PubChem CID98288356
Molecular FormulaC16H20INO
Molecular Weight369.25 g/mol
Exact Mass369.06
IUPAC NameN-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-iodobenzamide
SMILESC[C@@H](NC(=O)c1ccccc1I)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C16H20INO/c1-10(14-9-11-6-7-12(14)8-11)18-16(19)13-4-2-3-5-15(13)17/h2-5,10-12,14H,6-9H2,1H3,(H,18,19)/t10-,11+,12+,14-/m1/s1
InChIKeyPTUYHISFNRTITL-OWTLIXCDSA-N
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 53.85
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-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]naphthalene-1-carboxamide
CID 2933783
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-indole-3-carboxamide
CID 43399242
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 129376930
N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-benzothiophene-3-carboxamide
CID 98272034
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]thiophene-2-carboxamide
CID 129376616
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-methyl-2-nitrobenzamide
CID 98390989
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylindole-3-carboxamide
CID 46559714
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 98296051
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 98202188
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 6979705
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-iodobenzamide
CID 23306993
1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylurea
CID 98258446

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-iodobenzamide?
The IUPAC name of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-iodobenzamide (CID 98288356) is N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-iodobenzamide.
What is the SMILES notation for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-iodobenzamide?
The canonical SMILES for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-iodobenzamide is C[C@@H](NC(=O)c1ccccc1I)[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-iodobenzamide?
The InChIKey is PTUYHISFNRTITL-OWTLIXCDSA-N. The full InChI is InChI=1S/C16H20INO/c1-10(14-9-11-6-7-12(14)8-11)18-16(19)13-4-2-3-5-15(13)17/h2-5,10-12,14H,6-9H2,1H3,(H,18,19)/t10-,11+,12+,14-/m1/s1.
What are the key properties of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-iodobenzamide?
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-iodobenzamide has a molecular weight of 369.25 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-iodobenzamide is sourced from PubChem (CID 98288356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).