5-bromo-2-iodo-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide

C15H10BrIN2O2 — CID 34749993

IUPAC5-bromo-2-iodo-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
SMILESCc1nc2cc(NC(=O)c3cc(Br)ccc3I)ccc2o1
InChIInChI=1S/C15H10BrIN2O2/c1-8-18-13-7-10(3-5-14(13)21-8)19-15(20)11-6-9(16)2-4-12(11)17/h2-7H,1H3,(H,19,20)
InChIKeyQJBCDFGVKYTGKE-UHFFFAOYSA-N
MW457.07 g/mol
LogP4.76
Rot. Bonds2

About 5-bromo-2-iodo-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide

5-bromo-2-iodo-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 34749993) has the molecular formula C15H10BrIN2O2 and a molecular weight of 457.07 g/mol. Its IUPAC name is 5-bromo-2-iodo-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-iodo-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
PubChem CID34749993
Molecular FormulaC15H10BrIN2O2
Molecular Weight457.07 g/mol
Exact Mass455.90
IUPAC Name5-bromo-2-iodo-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
SMILESCc1nc2cc(NC(=O)c3cc(Br)ccc3I)ccc2o1
InChIInChI=1S/C15H10BrIN2O2/c1-8-18-13-7-10(3-5-14(13)21-8)19-15(20)11-6-9(16)2-4-12(11)17/h2-7H,1H3,(H,19,20)
InChIKeyQJBCDFGVKYTGKE-UHFFFAOYSA-N
XLogP4.76
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.07
LogP ≤ 54.76
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

2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)furan-3-carboxamide
CID 26662736
2-amino-5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 62059208
5-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 61292124
4,6-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 166401291
4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 81225184
4-chloro-2-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 25474421
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973
5-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625344
5-bromo-2-iodo-N-quinolin-6-ylbenzamide
CID 55784458
2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 107903105
5-bromo-N-(3,4-difluorophenyl)-2-iodobenzamide
CID 34845392
4-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide
CID 112525549

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodo-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 5-bromo-2-iodo-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide (CID 34749993) is 5-bromo-2-iodo-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 5-bromo-2-iodo-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 5-bromo-2-iodo-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide is Cc1nc2cc(NC(=O)c3cc(Br)ccc3I)ccc2o1.
What is the InChIKey of 5-bromo-2-iodo-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is QJBCDFGVKYTGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrIN2O2/c1-8-18-13-7-10(3-5-14(13)21-8)19-15(20)11-6-9(16)2-4-12(11)17/h2-7H,1H3,(H,19,20).
What are the key properties of 5-bromo-2-iodo-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
5-bromo-2-iodo-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 457.07 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iodo-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 34749993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).