2-amino-3-bromo-5-iodo-N-methylbenzamide

C8H8BrIN2O — CID 169154899

IUPAC2-amino-3-bromo-5-iodo-N-methylbenzamide
SMILESCNC(=O)c1cc(I)cc(Br)c1N
InChIInChI=1S/C8H8BrIN2O/c1-12-8(13)5-2-4(10)3-6(9)7(5)11/h2-3H,11H2,1H3,(H,12,13)
InChIKeyZKAVTUSLPDLXNC-UHFFFAOYSA-N
MW354.97 g/mol
LogP2.00
Rot. Bonds1

About 2-amino-3-bromo-5-iodo-N-methylbenzamide

2-amino-3-bromo-5-iodo-N-methylbenzamide (PubChem CID 169154899) has the molecular formula C8H8BrIN2O and a molecular weight of 354.97 g/mol. Its IUPAC name is 2-amino-3-bromo-5-iodo-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-3-bromo-5-iodo-N-methylbenzamide
PubChem CID169154899
Molecular FormulaC8H8BrIN2O
Molecular Weight354.97 g/mol
Exact Mass353.89
IUPAC Name2-amino-3-bromo-5-iodo-N-methylbenzamide
SMILESCNC(=O)c1cc(I)cc(Br)c1N
InChIInChI=1S/C8H8BrIN2O/c1-12-8(13)5-2-4(10)3-6(9)7(5)11/h2-3H,11H2,1H3,(H,12,13)
InChIKeyZKAVTUSLPDLXNC-UHFFFAOYSA-N
XLogP2.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.97
LogP ≤ 52.00
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

2-bromo-4-iodo-N-methylbenzamide
CID 155462102
2-amino-5-bromo-3-fluoro-N-methylbenzamide
CID 67263746
2,5-diiodo-N-methylbenzamide
CID 131072416
2-amino-3,5-dibromo-N-hydroxybenzamide
CID 13097908
1-(2,3-dibromo-5-iodophenyl)ethanone
CID 171001929
2-bromo-5-iodobenzohydrazide
CID 3623021
2-amino-5-bromo-4-methoxy-N-methylbenzamide
CID 167259236
4-iodo-N-methyl-2-(2-methylprop-2-enoyl)benzamide
CID 150916314
1-(3-bromo-5-iodo-2-methylphenyl)ethanone
CID 131429620
2,4-dibromo-N-methylbenzamide
CID 54214948
5-amino-2-bromo-N-methylpyridine-3-carboxamide
CID 99981273
2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3,5-dibromobenzamide
CID 122583234

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-bromo-5-iodo-N-methylbenzamide?
The IUPAC name of 2-amino-3-bromo-5-iodo-N-methylbenzamide (CID 169154899) is 2-amino-3-bromo-5-iodo-N-methylbenzamide.
What is the SMILES notation for 2-amino-3-bromo-5-iodo-N-methylbenzamide?
The canonical SMILES for 2-amino-3-bromo-5-iodo-N-methylbenzamide is CNC(=O)c1cc(I)cc(Br)c1N.
What is the InChIKey of 2-amino-3-bromo-5-iodo-N-methylbenzamide?
The InChIKey is ZKAVTUSLPDLXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrIN2O/c1-12-8(13)5-2-4(10)3-6(9)7(5)11/h2-3H,11H2,1H3,(H,12,13).
What are the key properties of 2-amino-3-bromo-5-iodo-N-methylbenzamide?
2-amino-3-bromo-5-iodo-N-methylbenzamide has a molecular weight of 354.97 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-bromo-5-iodo-N-methylbenzamide is sourced from PubChem (CID 169154899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).