N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-iodobenzamide

C16H14INO — CID 60811719

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-iodobenzamide
SMILESO=C(NCC1Cc2ccccc21)c1ccc(I)cc1
InChIInChI=1S/C16H14INO/c17-14-7-5-11(6-8-14)16(19)18-10-13-9-12-3-1-2-4-15(12)13/h1-8,13H,9-10H2,(H,18,19)
InChIKeyRBNDHCPLWZEGPY-UHFFFAOYSA-N
MW363.20 g/mol
LogP3.36
Rot. Bonds3

About N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-iodobenzamide

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-iodobenzamide (PubChem CID 60811719) has the molecular formula C16H14INO and a molecular weight of 363.20 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-iodobenzamide
PubChem CID60811719
Molecular FormulaC16H14INO
Molecular Weight363.20 g/mol
Exact Mass363.01
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-iodobenzamide
SMILESO=C(NCC1Cc2ccccc21)c1ccc(I)cc1
InChIInChI=1S/C16H14INO/c17-14-7-5-11(6-8-14)16(19)18-10-13-9-12-3-1-2-4-15(12)13/h1-8,13H,9-10H2,(H,18,19)
InChIKeyRBNDHCPLWZEGPY-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.36
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-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-butoxybenzamide
CID 51960739
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-bromo-3-chlorobenzamide
CID 81307342
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-bromo-3-methylbenzamide
CID 115770192
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-[4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-2-oxoethyl]phenyl]acetamide
CID 166214928
6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 61067039
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-bromo-4-methoxybenzamide
CID 60811453
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-oxobutanamide
CID 60815550
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,2,2-trifluoroacetamide
CID 62726730
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpropanamide
CID 60810919
4-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688514
2,4-diamino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)benzamide
CID 61111657
N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-5-chloro-6-ethoxypyridine-3-carboxamide
CID 99807446

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-iodobenzamide?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-iodobenzamide (CID 60811719) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-iodobenzamide.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-iodobenzamide?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-iodobenzamide is O=C(NCC1Cc2ccccc21)c1ccc(I)cc1.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-iodobenzamide?
The InChIKey is RBNDHCPLWZEGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14INO/c17-14-7-5-11(6-8-14)16(19)18-10-13-9-12-3-1-2-4-15(12)13/h1-8,13H,9-10H2,(H,18,19).
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-iodobenzamide?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-iodobenzamide has a molecular weight of 363.20 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-iodobenzamide is sourced from PubChem (CID 60811719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).