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

C15H12BrFINO — CID 103600097

IUPAC5-bromo-N-[(4-fluorophenyl)methyl]-2-iodo-N-methylbenzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cc(Br)ccc1I
InChIInChI=1S/C15H12BrFINO/c1-19(9-10-2-5-12(17)6-3-10)15(20)13-8-11(16)4-7-14(13)18/h2-8H,9H2,1H3
InChIKeyTVIAWCDSYXAEJW-UHFFFAOYSA-N
MW448.07 g/mol
LogP4.47
Rot. Bonds3

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

5-bromo-N-[(4-fluorophenyl)methyl]-2-iodo-N-methylbenzamide (PubChem CID 103600097) has the molecular formula C15H12BrFINO and a molecular weight of 448.07 g/mol. Its IUPAC name is 5-bromo-N-[(4-fluorophenyl)methyl]-2-iodo-N-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-[(4-fluorophenyl)methyl]-2-iodo-N-methylbenzamide
PubChem CID103600097
Molecular FormulaC15H12BrFINO
Molecular Weight448.07 g/mol
Exact Mass446.91
IUPAC Name5-bromo-N-[(4-fluorophenyl)methyl]-2-iodo-N-methylbenzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cc(Br)ccc1I
InChIInChI=1S/C15H12BrFINO/c1-19(9-10-2-5-12(17)6-3-10)15(20)13-8-11(16)4-7-14(13)18/h2-8H,9H2,1H3
InChIKeyTVIAWCDSYXAEJW-UHFFFAOYSA-N
XLogP4.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.07
LogP ≤ 54.47
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-bromophenyl)methyl]-2-iodo-N-methylbenzamide
CID 103600040
5-bromo-2-iodo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31844680
5-bromo-2-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103600356
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-iodo-N-methylbenzamide
CID 104627427
5-bromo-2-iodo-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 64512191
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
methyl 4-[[(5-bromo-2-fluorobenzoyl)-methylamino]methyl]benzoate
CID 37412583
5-bromo-N-[2-(diethylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide
CID 55406882
4-bromo-N-[(3,4-difluorophenyl)methyl]-2-fluoro-N-methylbenzamide
CID 60728865
5-bromo-N-(2-cyanoethyl)-2-iodo-N-methylbenzamide
CID 99149210
N-[(4-fluorophenyl)methyl]-4-iodo-N-methylbenzamide
CID 60628786

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-fluorophenyl)methyl]-2-iodo-N-methylbenzamide?
The IUPAC name of 5-bromo-N-[(4-fluorophenyl)methyl]-2-iodo-N-methylbenzamide (CID 103600097) is 5-bromo-N-[(4-fluorophenyl)methyl]-2-iodo-N-methylbenzamide.
What is the SMILES notation for 5-bromo-N-[(4-fluorophenyl)methyl]-2-iodo-N-methylbenzamide?
The canonical SMILES for 5-bromo-N-[(4-fluorophenyl)methyl]-2-iodo-N-methylbenzamide is CN(Cc1ccc(F)cc1)C(=O)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-N-[(4-fluorophenyl)methyl]-2-iodo-N-methylbenzamide?
The InChIKey is TVIAWCDSYXAEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFINO/c1-19(9-10-2-5-12(17)6-3-10)15(20)13-8-11(16)4-7-14(13)18/h2-8H,9H2,1H3.
What are the key properties of 5-bromo-N-[(4-fluorophenyl)methyl]-2-iodo-N-methylbenzamide?
5-bromo-N-[(4-fluorophenyl)methyl]-2-iodo-N-methylbenzamide has a molecular weight of 448.07 g/mol, XLogP of 4.47, 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-fluorophenyl)methyl]-2-iodo-N-methylbenzamide is sourced from PubChem (CID 103600097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).