N-[(5-bromo-2-fluorophenyl)methyl]-2-iodobenzamide

C14H10BrFINO — CID 46592497

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-2-iodobenzamide
SMILESO=C(NCc1cc(Br)ccc1F)c1ccccc1I
InChIInChI=1S/C14H10BrFINO/c15-10-5-6-12(16)9(7-10)8-18-14(19)11-3-1-2-4-13(11)17/h1-7H,8H2,(H,18,19)
InChIKeyZQZRPPKQNZUDLF-UHFFFAOYSA-N
MW434.05 g/mol
LogP4.12
Rot. Bonds3

About N-[(5-bromo-2-fluorophenyl)methyl]-2-iodobenzamide

N-[(5-bromo-2-fluorophenyl)methyl]-2-iodobenzamide (PubChem CID 46592497) has the molecular formula C14H10BrFINO and a molecular weight of 434.05 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-2-iodobenzamide
PubChem CID46592497
Molecular FormulaC14H10BrFINO
Molecular Weight434.05 g/mol
Exact Mass432.90
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-2-iodobenzamide
SMILESO=C(NCc1cc(Br)ccc1F)c1ccccc1I
InChIInChI=1S/C14H10BrFINO/c15-10-5-6-12(16)9(7-10)8-18-14(19)11-3-1-2-4-13(11)17/h1-7H,8H2,(H,18,19)
InChIKeyZQZRPPKQNZUDLF-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.05
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide
CID 62650266
2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbenzamide
CID 103853140
2-amino-4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzamide
CID 79722261
N-[(5-bromo-2-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide
CID 78948922
3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide
CID 63529302
5-bromo-N-[(2-bromophenyl)methyl]-2-fluorobenzamide
CID 60739201
5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-iodobenzamide
CID 35613683
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide
CID 46460791
N-[(5-bromo-2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 61299281
5-bromo-N-[(2-fluorophenyl)methyl]-2-hydroxybenzamide
CID 27163577
2,5-dibromo-N-[(2,5-difluorophenyl)methyl]benzamide
CID 114372361
N-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxybenzamide
CID 61299476

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-iodobenzamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-iodobenzamide (CID 46592497) is N-[(5-bromo-2-fluorophenyl)methyl]-2-iodobenzamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-2-iodobenzamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-2-iodobenzamide is O=C(NCc1cc(Br)ccc1F)c1ccccc1I.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-2-iodobenzamide?
The InChIKey is ZQZRPPKQNZUDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFINO/c15-10-5-6-12(16)9(7-10)8-18-14(19)11-3-1-2-4-13(11)17/h1-7H,8H2,(H,18,19).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-2-iodobenzamide?
N-[(5-bromo-2-fluorophenyl)methyl]-2-iodobenzamide has a molecular weight of 434.05 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-2-iodobenzamide is sourced from PubChem (CID 46592497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).