4-amino-N-(2-bromophenyl)-3-iodobenzamide

C13H10BrIN2O — CID 112750750

IUPAC4-amino-N-(2-bromophenyl)-3-iodobenzamide
SMILESNc1ccc(C(=O)Nc2ccccc2Br)cc1I
InChIInChI=1S/C13H10BrIN2O/c14-9-3-1-2-4-12(9)17-13(18)8-5-6-11(16)10(15)7-8/h1-7H,16H2,(H,17,18)
InChIKeyKBUOKHBEOYHCSN-UHFFFAOYSA-N
MW417.04 g/mol
LogP3.89
Rot. Bonds2

About 4-amino-N-(2-bromophenyl)-3-iodobenzamide

4-amino-N-(2-bromophenyl)-3-iodobenzamide (PubChem CID 112750750) has the molecular formula C13H10BrIN2O and a molecular weight of 417.04 g/mol. Its IUPAC name is 4-amino-N-(2-bromophenyl)-3-iodobenzamide.

Molecular Properties

Compound Name4-amino-N-(2-bromophenyl)-3-iodobenzamide
PubChem CID112750750
Molecular FormulaC13H10BrIN2O
Molecular Weight417.04 g/mol
Exact Mass415.90
IUPAC Name4-amino-N-(2-bromophenyl)-3-iodobenzamide
SMILESNc1ccc(C(=O)Nc2ccccc2Br)cc1I
InChIInChI=1S/C13H10BrIN2O/c14-9-3-1-2-4-12(9)17-13(18)8-5-6-11(16)10(15)7-8/h1-7H,16H2,(H,17,18)
InChIKeyKBUOKHBEOYHCSN-UHFFFAOYSA-N
XLogP3.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.04
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromophenyl)-3-hydroxy-4-iodobenzamide
CID 104627291
4-amino-N-(2-iodophenyl)-3-methylbenzamide
CID 28977721
N-(2-bromophenyl)-3-iodobenzamide
CID 3258895
3,5-dibromo-N-(2-bromophenyl)benzamide
CID 107972328
N-(2-aminophenyl)-4-bromo-3-hydroxybenzamide
CID 114103160
4-benzamido-N-(2-bromophenyl)benzamide
CID 17153303
3-amino-N-(2-bromophenyl)naphthalene-2-carboxamide
CID 61209348
N-(2-bromophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325607
4-amino-N-(3-bromo-2-methylphenyl)-3-chlorobenzamide
CID 107623927
N-(2-bromophenyl)-3-(trifluoromethyl)benzamide
CID 2561322
N-(2-bromophenyl)pyridine-4-carboxamide
CID 882176
N-(2-bromophenyl)-4-(chloromethyl)benzamide
CID 43156285

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bromophenyl)-3-iodobenzamide?
The IUPAC name of 4-amino-N-(2-bromophenyl)-3-iodobenzamide (CID 112750750) is 4-amino-N-(2-bromophenyl)-3-iodobenzamide.
What is the SMILES notation for 4-amino-N-(2-bromophenyl)-3-iodobenzamide?
The canonical SMILES for 4-amino-N-(2-bromophenyl)-3-iodobenzamide is Nc1ccc(C(=O)Nc2ccccc2Br)cc1I.
What is the InChIKey of 4-amino-N-(2-bromophenyl)-3-iodobenzamide?
The InChIKey is KBUOKHBEOYHCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrIN2O/c14-9-3-1-2-4-12(9)17-13(18)8-5-6-11(16)10(15)7-8/h1-7H,16H2,(H,17,18).
What are the key properties of 4-amino-N-(2-bromophenyl)-3-iodobenzamide?
4-amino-N-(2-bromophenyl)-3-iodobenzamide has a molecular weight of 417.04 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-bromophenyl)-3-iodobenzamide is sourced from PubChem (CID 112750750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).