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

C14H16INO — CID 2231103

IUPACN-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-iodobenzamide
SMILESO=C(N[C@H]1C[C@@H]2CC[C@H]1C2)c1ccc(I)cc1
InChIInChI=1S/C14H16INO/c15-12-5-3-10(4-6-12)14(17)16-13-8-9-1-2-11(13)7-9/h3-6,9,11,13H,1-2,7-8H2,(H,16,17)/t9-,11+,13+/m1/s1
InChIKeyBPRZIFDYROZSNQ-CDMKHQONSA-N
MW341.19 g/mol
LogP3.21
Rot. Bonds2

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

N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-iodobenzamide (PubChem CID 2231103) has the molecular formula C14H16INO and a molecular weight of 341.19 g/mol. Its IUPAC name is N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-iodobenzamide.

Molecular Properties

Compound NameN-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-iodobenzamide
PubChem CID2231103
Molecular FormulaC14H16INO
Molecular Weight341.19 g/mol
Exact Mass341.03
IUPAC NameN-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-iodobenzamide
SMILESO=C(N[C@H]1C[C@@H]2CC[C@H]1C2)c1ccc(I)cc1
InChIInChI=1S/C14H16INO/c15-12-5-3-10(4-6-12)14(17)16-13-8-9-1-2-11(13)7-9/h3-6,9,11,13H,1-2,7-8H2,(H,16,17)/t9-,11+,13+/m1/s1
InChIKeyBPRZIFDYROZSNQ-CDMKHQONSA-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,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)-4-(bromomethyl)benzamide
CID 102851737
N-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-nitrobenzamide
CID 11630293
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-ethoxybenzamide
CID 98736172
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(cyclobutanecarbonylamino)benzamide
CID 50975798
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 98112476
4-(benzenesulfonamido)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 11899057
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-iodobenzamide
CID 23306993
4-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxybenzamide
CID 107075411
4-iodo-N-(2-methylcyclopropyl)benzamide
CID 58185353
4-(2-bicyclo[2.2.1]heptanylamino)-N-cyclopropylbenzamide
CID 61309160

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-iodobenzamide?
The IUPAC name of N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-iodobenzamide (CID 2231103) is N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-iodobenzamide.
What is the SMILES notation for N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-iodobenzamide?
The canonical SMILES for N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-iodobenzamide is O=C(N[C@H]1C[C@@H]2CC[C@H]1C2)c1ccc(I)cc1.
What is the InChIKey of N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-iodobenzamide?
The InChIKey is BPRZIFDYROZSNQ-CDMKHQONSA-N. The full InChI is InChI=1S/C14H16INO/c15-12-5-3-10(4-6-12)14(17)16-13-8-9-1-2-11(13)7-9/h3-6,9,11,13H,1-2,7-8H2,(H,16,17)/t9-,11+,13+/m1/s1.
What are the key properties of N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-iodobenzamide?
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-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-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-iodobenzamide is sourced from PubChem (CID 2231103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).