4-(bromomethyl)-N-(4-iodo-2-methylphenyl)benzamide

C15H13BrINO — CID 102851138

IUPAC4-(bromomethyl)-N-(4-iodo-2-methylphenyl)benzamide
SMILESCc1cc(I)ccc1NC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C15H13BrINO/c1-10-8-13(17)6-7-14(10)18-15(19)12-4-2-11(9-16)3-5-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeyLCAHXXHPAXEWJT-UHFFFAOYSA-N
MW430.08 g/mol
LogP4.75
Rot. Bonds3

About 4-(bromomethyl)-N-(4-iodo-2-methylphenyl)benzamide

4-(bromomethyl)-N-(4-iodo-2-methylphenyl)benzamide (PubChem CID 102851138) has the molecular formula C15H13BrINO and a molecular weight of 430.08 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(4-iodo-2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(4-iodo-2-methylphenyl)benzamide
PubChem CID102851138
Molecular FormulaC15H13BrINO
Molecular Weight430.08 g/mol
Exact Mass428.92
IUPAC Name4-(bromomethyl)-N-(4-iodo-2-methylphenyl)benzamide
SMILESCc1cc(I)ccc1NC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C15H13BrINO/c1-10-8-13(17)6-7-14(10)18-15(19)12-4-2-11(9-16)3-5-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeyLCAHXXHPAXEWJT-UHFFFAOYSA-N
XLogP4.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.08
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-N-(4-fluoro-2-methylphenyl)benzamide
CID 102850738
4-bromo-N-(4-iodo-2-methylphenyl)benzamide
CID 1379401
4-ethoxy-N-(4-iodo-2-methylphenyl)benzamide
CID 1350175
3-[[4-(bromomethyl)benzoyl]amino]-4-methylbenzoic acid
CID 102851169
4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide
CID 63213134
N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide
CID 1249872
N-(4-iodo-2-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46763294
N-(4-iodo-2-methylphenyl)-4-(methylsulfamoyl)benzamide
CID 55407314
4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(4-iodo-2-methylphenyl)benzamide
CID 43923863
N-(4-fluoro-2-methylphenyl)-4-iodobenzamide
CID 7980558
4-hexoxy-N-(4-iodo-2-methylphenyl)benzamide
CID 19170785
N-(5-bromo-2-iodophenyl)-4-(bromomethyl)benzamide
CID 114259152

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(4-iodo-2-methylphenyl)benzamide?
The IUPAC name of 4-(bromomethyl)-N-(4-iodo-2-methylphenyl)benzamide (CID 102851138) is 4-(bromomethyl)-N-(4-iodo-2-methylphenyl)benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-(4-iodo-2-methylphenyl)benzamide?
The canonical SMILES for 4-(bromomethyl)-N-(4-iodo-2-methylphenyl)benzamide is Cc1cc(I)ccc1NC(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-(4-iodo-2-methylphenyl)benzamide?
The InChIKey is LCAHXXHPAXEWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrINO/c1-10-8-13(17)6-7-14(10)18-15(19)12-4-2-11(9-16)3-5-12/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 4-(bromomethyl)-N-(4-iodo-2-methylphenyl)benzamide?
4-(bromomethyl)-N-(4-iodo-2-methylphenyl)benzamide has a molecular weight of 430.08 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(4-iodo-2-methylphenyl)benzamide is sourced from PubChem (CID 102851138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).