5-bromo-2-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide

C16H15BrINO2 — CID 103600356

IUPAC5-bromo-2-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccccc1CN(C)C(=O)c1cc(Br)ccc1I
InChIInChI=1S/C16H15BrINO2/c1-19(10-11-5-3-4-6-15(11)21-2)16(20)13-9-12(17)7-8-14(13)18/h3-9H,10H2,1-2H3
InChIKeyXKKQZFHKSGLJLF-UHFFFAOYSA-N
MW460.11 g/mol
LogP4.33
Rot. Bonds4

About 5-bromo-2-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide

5-bromo-2-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 103600356) has the molecular formula C16H15BrINO2 and a molecular weight of 460.11 g/mol. Its IUPAC name is 5-bromo-2-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name5-bromo-2-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
PubChem CID103600356
Molecular FormulaC16H15BrINO2
Molecular Weight460.11 g/mol
Exact Mass458.93
IUPAC Name5-bromo-2-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccccc1CN(C)C(=O)c1cc(Br)ccc1I
InChIInChI=1S/C16H15BrINO2/c1-19(10-11-5-3-4-6-15(11)21-2)16(20)13-9-12(17)7-8-14(13)18/h3-9H,10H2,1-2H3
InChIKeyXKKQZFHKSGLJLF-UHFFFAOYSA-N
XLogP4.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.11
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 62160081
3-chloro-4-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103221354
5-bromo-N-[(4-bromophenyl)methyl]-2-iodo-N-methylbenzamide
CID 103600040
4-bromo-3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 17412285
2-amino-5-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 107074383
5-bromo-2-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 47391163
4-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2-fluoro-N-methylbenzamide
CID 18112121
4,5-dibromo-N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 27824436
5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 79882419
N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylbenzamide
CID 38005257
5-amino-2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 61111701
2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103748911

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 5-bromo-2-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide (CID 103600356) is 5-bromo-2-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 5-bromo-2-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 5-bromo-2-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide is COc1ccccc1CN(C)C(=O)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-2-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is XKKQZFHKSGLJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrINO2/c1-19(10-11-5-3-4-6-15(11)21-2)16(20)13-9-12(17)7-8-14(13)18/h3-9H,10H2,1-2H3.
What are the key properties of 5-bromo-2-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
5-bromo-2-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 460.11 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 103600356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).