N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-iodobenzamide

C24H15IN2O2 — CID 4188409

IUPACN-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-iodobenzamide
SMILESO=C(Nc1ccccc1-c1nc2c(ccc3ccccc32)o1)c1ccc(I)cc1
InChIInChI=1S/C24H15IN2O2/c25-17-12-9-16(10-13-17)23(28)26-20-8-4-3-7-19(20)24-27-22-18-6-2-1-5-15(18)11-14-21(22)29-24/h1-14H,(H,26,28)
InChIKeyUZZTURVNXNDLRI-UHFFFAOYSA-N
MW490.30 g/mol
LogP6.50
Rot. Bonds3

About N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-iodobenzamide

N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-iodobenzamide (PubChem CID 4188409) has the molecular formula C24H15IN2O2 and a molecular weight of 490.30 g/mol. Its IUPAC name is N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-iodobenzamide
PubChem CID4188409
Molecular FormulaC24H15IN2O2
Molecular Weight490.30 g/mol
Exact Mass490.02
IUPAC NameN-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-iodobenzamide
SMILESO=C(Nc1ccccc1-c1nc2c(ccc3ccccc32)o1)c1ccc(I)cc1
InChIInChI=1S/C24H15IN2O2/c25-17-12-9-16(10-13-17)23(28)26-20-8-4-3-7-19(20)24-27-22-18-6-2-1-5-15(18)11-14-21(22)29-24/h1-14H,(H,26,28)
InChIKeyUZZTURVNXNDLRI-UHFFFAOYSA-N
XLogP6.50
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.30
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methylbenzamide
CID 1047427
N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-4-methoxybenzamide
CID 4086369
N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(4-ethylphenoxy)acetamide
CID 4162478
N-[2-(1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 23879270
bis(2-benzo[e][1,3]benzoxazol-2-ylphenol);palladium
CID 139246627
N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 4061095
N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 3258462
N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(2-nitrophenoxy)acetamide
CID 4116322
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-chlorobenzamide
CID 40619533
[4-[(2-benzo[g][1,3]benzoxazol-2-ylphenyl)carbamoyl]phenyl] acetate
CID 4158404
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methoxybenzamide
CID 1047424
methyl 4-[[2-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]benzoate
CID 23934647

Frequently Asked Questions

What is the IUPAC name of N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-iodobenzamide?
The IUPAC name of N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-iodobenzamide (CID 4188409) is N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-iodobenzamide.
What is the SMILES notation for N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-iodobenzamide?
The canonical SMILES for N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-iodobenzamide is O=C(Nc1ccccc1-c1nc2c(ccc3ccccc32)o1)c1ccc(I)cc1.
What is the InChIKey of N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-iodobenzamide?
The InChIKey is UZZTURVNXNDLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15IN2O2/c25-17-12-9-16(10-13-17)23(28)26-20-8-4-3-7-19(20)24-27-22-18-6-2-1-5-15(18)11-14-21(22)29-24/h1-14H,(H,26,28).
What are the key properties of N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-iodobenzamide?
N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-iodobenzamide has a molecular weight of 490.30 g/mol, XLogP of 6.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-iodobenzamide is sourced from PubChem (CID 4188409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).