N-(2-bromophenyl)-3-iodobenzamide

C13H9BrINO — CID 3258895

IUPACN-(2-bromophenyl)-3-iodobenzamide
SMILESO=C(Nc1ccccc1Br)c1cccc(I)c1
InChIInChI=1S/C13H9BrINO/c14-11-6-1-2-7-12(11)16-13(17)9-4-3-5-10(15)8-9/h1-8H,(H,16,17)
InChIKeyWAYYPHPKYYECIW-UHFFFAOYSA-N
MW402.03 g/mol
LogP4.31
Rot. Bonds2

About N-(2-bromophenyl)-3-iodobenzamide

N-(2-bromophenyl)-3-iodobenzamide (PubChem CID 3258895) has the molecular formula C13H9BrINO and a molecular weight of 402.03 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-iodobenzamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-iodobenzamide
PubChem CID3258895
Molecular FormulaC13H9BrINO
Molecular Weight402.03 g/mol
Exact Mass400.89
IUPAC NameN-(2-bromophenyl)-3-iodobenzamide
SMILESO=C(Nc1ccccc1Br)c1cccc(I)c1
InChIInChI=1S/C13H9BrINO/c14-11-6-1-2-7-12(11)16-13(17)9-4-3-5-10(15)8-9/h1-8H,(H,16,17)
InChIKeyWAYYPHPKYYECIW-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.03
LogP ≤ 54.31
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-(2-bromo-5-chlorophenyl)-3-iodobenzamide
CID 81270343
N-(2-bromophenyl)-3-(trifluoromethyl)benzamide
CID 2561322
N-(2-bromophenyl)-3-hydroxy-4-iodobenzamide
CID 104627291
2-[2-[(3-iodobenzoyl)amino]phenyl]acetic acid
CID 62535527
3,5-dibromo-N-(2-bromophenyl)benzamide
CID 107972328
4-amino-N-(2-bromophenyl)-3-iodobenzamide
CID 112750750
methyl 2-[(3-iodobenzoyl)amino]benzoate
CID 1019242
N-(4-amino-3-bromophenyl)-3-iodobenzamide
CID 82861642
N-(5-bromo-2-methylphenyl)-3-iodobenzamide
CID 43806317
4-benzamido-N-(2-bromophenyl)benzamide
CID 17153303
3-N-(2-bromophenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052632
3-iodo-N-(2,4,5-trichlorophenyl)benzamide
CID 3408530

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-iodobenzamide?
The IUPAC name of N-(2-bromophenyl)-3-iodobenzamide (CID 3258895) is N-(2-bromophenyl)-3-iodobenzamide.
What is the SMILES notation for N-(2-bromophenyl)-3-iodobenzamide?
The canonical SMILES for N-(2-bromophenyl)-3-iodobenzamide is O=C(Nc1ccccc1Br)c1cccc(I)c1.
What is the InChIKey of N-(2-bromophenyl)-3-iodobenzamide?
The InChIKey is WAYYPHPKYYECIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrINO/c14-11-6-1-2-7-12(11)16-13(17)9-4-3-5-10(15)8-9/h1-8H,(H,16,17).
What are the key properties of N-(2-bromophenyl)-3-iodobenzamide?
N-(2-bromophenyl)-3-iodobenzamide has a molecular weight of 402.03 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-iodobenzamide is sourced from PubChem (CID 3258895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).