5-bromo-N-[(4-bromophenyl)methyl]-2-iodo-N-methylbenzamide

C15H12Br2INO — CID 103600040

IUPAC5-bromo-N-[(4-bromophenyl)methyl]-2-iodo-N-methylbenzamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1cc(Br)ccc1I
InChIInChI=1S/C15H12Br2INO/c1-19(9-10-2-4-11(16)5-3-10)15(20)13-8-12(17)6-7-14(13)18/h2-8H,9H2,1H3
InChIKeyQOJLLTXQKSUASM-UHFFFAOYSA-N
MW508.98 g/mol
LogP5.09
Rot. Bonds3

About 5-bromo-N-[(4-bromophenyl)methyl]-2-iodo-N-methylbenzamide

5-bromo-N-[(4-bromophenyl)methyl]-2-iodo-N-methylbenzamide (PubChem CID 103600040) has the molecular formula C15H12Br2INO and a molecular weight of 508.98 g/mol. Its IUPAC name is 5-bromo-N-[(4-bromophenyl)methyl]-2-iodo-N-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-[(4-bromophenyl)methyl]-2-iodo-N-methylbenzamide
PubChem CID103600040
Molecular FormulaC15H12Br2INO
Molecular Weight508.98 g/mol
Exact Mass506.83
IUPAC Name5-bromo-N-[(4-bromophenyl)methyl]-2-iodo-N-methylbenzamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1cc(Br)ccc1I
InChIInChI=1S/C15H12Br2INO/c1-19(9-10-2-4-11(16)5-3-10)15(20)13-8-12(17)6-7-14(13)18/h2-8H,9H2,1H3
InChIKeyQOJLLTXQKSUASM-UHFFFAOYSA-N
XLogP5.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.98
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[(4-fluorophenyl)methyl]-2-iodo-N-methylbenzamide
CID 103600097
5-bromo-2-iodo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31844680
5-bromo-2-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 47391163
5-bromo-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630930
5-bromo-2-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103600356
5-bromo-N-[2-(diethylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide
CID 55406882
5-bromo-N-(2-cyanoethyl)-2-iodo-N-methylbenzamide
CID 99149210
5-bromo-2-iodo-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 64512191
N-[(4-bromophenyl)methyl]-N,2,4-trimethylbenzamide
CID 60628421
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-5-bromo-2-iodo-N-methylbenzamide
CID 114032684
3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 31145203
N-[(4-bromophenyl)methyl]-2-hydroxy-N,5-dimethylbenzamide
CID 42987430

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-bromophenyl)methyl]-2-iodo-N-methylbenzamide?
The IUPAC name of 5-bromo-N-[(4-bromophenyl)methyl]-2-iodo-N-methylbenzamide (CID 103600040) is 5-bromo-N-[(4-bromophenyl)methyl]-2-iodo-N-methylbenzamide.
What is the SMILES notation for 5-bromo-N-[(4-bromophenyl)methyl]-2-iodo-N-methylbenzamide?
The canonical SMILES for 5-bromo-N-[(4-bromophenyl)methyl]-2-iodo-N-methylbenzamide is CN(Cc1ccc(Br)cc1)C(=O)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-N-[(4-bromophenyl)methyl]-2-iodo-N-methylbenzamide?
The InChIKey is QOJLLTXQKSUASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2INO/c1-19(9-10-2-4-11(16)5-3-10)15(20)13-8-12(17)6-7-14(13)18/h2-8H,9H2,1H3.
What are the key properties of 5-bromo-N-[(4-bromophenyl)methyl]-2-iodo-N-methylbenzamide?
5-bromo-N-[(4-bromophenyl)methyl]-2-iodo-N-methylbenzamide has a molecular weight of 508.98 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-bromophenyl)methyl]-2-iodo-N-methylbenzamide is sourced from PubChem (CID 103600040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).