5-bromo-2-fluoro-4-iodobenzamide

C7H4BrFINO — CID 164523655

IUPAC5-bromo-2-fluoro-4-iodobenzamide
SMILESNC(=O)c1cc(Br)c(I)cc1F
InChIInChI=1S/C7H4BrFINO/c8-4-1-3(7(11)12)5(9)2-6(4)10/h1-2H,(H2,11,12)
InChIKeyPHUDPPBJBBSDTI-UHFFFAOYSA-N
MW343.92 g/mol
LogP2.29
Rot. Bonds1

About 5-bromo-2-fluoro-4-iodobenzamide

5-bromo-2-fluoro-4-iodobenzamide (PubChem CID 164523655) has the molecular formula C7H4BrFINO and a molecular weight of 343.92 g/mol. Its IUPAC name is 5-bromo-2-fluoro-4-iodobenzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-4-iodobenzamide
PubChem CID164523655
Molecular FormulaC7H4BrFINO
Molecular Weight343.92 g/mol
Exact Mass342.85
IUPAC Name5-bromo-2-fluoro-4-iodobenzamide
SMILESNC(=O)c1cc(Br)c(I)cc1F
InChIInChI=1S/C7H4BrFINO/c8-4-1-3(7(11)12)5(9)2-6(4)10/h1-2H,(H2,11,12)
InChIKeyPHUDPPBJBBSDTI-UHFFFAOYSA-N
XLogP2.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.92
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2,5-difluorobenzamide
CID 53418047
2-amino-5-bromo-4-fluorobenzamide;2-amino-5-bromo-4-fluorobenzoic acid
CID 158167463
2-bromo-4-fluoro-5-methylbenzamide
CID 131582369
4-bromo-5-fluoro-2-methylbenzamide
CID 121366312
5-(4-bromo-2-fluoro-5-iodophenyl)-2H-triazole-4-carboxamide
CID 169404931
1-bromo-5-chloro-4-fluoro-2-iodobenzene
CID 50998080
4-bromo-2-fluoro-5-iodobenzenethiol
CID 171005155
2,3-difluoro-5-iodobenzamide
CID 121345074
2,3-dibromo-5-fluorobenzamide
CID 119023969
2,4-dibromo-3,5-difluorobenzamide
CID 119007128
5-bromo-2,4-bis(trifluoromethyl)benzamide
CID 134640615
2,4-difluorobenzamide;dihydrochloride
CID 22032026

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-4-iodobenzamide?
The IUPAC name of 5-bromo-2-fluoro-4-iodobenzamide (CID 164523655) is 5-bromo-2-fluoro-4-iodobenzamide.
What is the SMILES notation for 5-bromo-2-fluoro-4-iodobenzamide?
The canonical SMILES for 5-bromo-2-fluoro-4-iodobenzamide is NC(=O)c1cc(Br)c(I)cc1F.
What is the InChIKey of 5-bromo-2-fluoro-4-iodobenzamide?
The InChIKey is PHUDPPBJBBSDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrFINO/c8-4-1-3(7(11)12)5(9)2-6(4)10/h1-2H,(H2,11,12).
What are the key properties of 5-bromo-2-fluoro-4-iodobenzamide?
5-bromo-2-fluoro-4-iodobenzamide has a molecular weight of 343.92 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-4-iodobenzamide is sourced from PubChem (CID 164523655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).