N-(5-bromo-2-iodophenyl)propanamide

C9H9BrINO — CID 47076747

IUPACN-(5-bromo-2-iodophenyl)propanamide
SMILESCCC(=O)Nc1cc(Br)ccc1I
InChIInChI=1S/C9H9BrINO/c1-2-9(13)12-8-5-6(10)3-4-7(8)11/h3-5H,2H2,1H3,(H,12,13)
InChIKeyUMJXUHMJQDLFLU-UHFFFAOYSA-N
MW353.99 g/mol
LogP3.40
Rot. Bonds2

About N-(5-bromo-2-iodophenyl)propanamide

N-(5-bromo-2-iodophenyl)propanamide (PubChem CID 47076747) has the molecular formula C9H9BrINO and a molecular weight of 353.99 g/mol. Its IUPAC name is N-(5-bromo-2-iodophenyl)propanamide.

Molecular Properties

Compound NameN-(5-bromo-2-iodophenyl)propanamide
PubChem CID47076747
Molecular FormulaC9H9BrINO
Molecular Weight353.99 g/mol
Exact Mass352.89
IUPAC NameN-(5-bromo-2-iodophenyl)propanamide
SMILESCCC(=O)Nc1cc(Br)ccc1I
InChIInChI=1S/C9H9BrINO/c1-2-9(13)12-8-5-6(10)3-4-7(8)11/h3-5H,2H2,1H3,(H,12,13)
InChIKeyUMJXUHMJQDLFLU-UHFFFAOYSA-N
XLogP3.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.99
LogP ≤ 53.40
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

4-iodo-3-(propanoylamino)benzoic acid
CID 127019066
methyl N-(5-bromo-2-iodophenyl)carbamate
CID 130159713
N-(5-bromo-2-cyanophenyl)propanamide
CID 104880130
N-(5-bromo-2-iodophenyl)-3-cyclopentylpropanamide
CID 114259223
N-(5-bromo-2-iodophenyl)-2-methoxypropanamide
CID 47403053
3-amino-N-(5-bromo-2-iodophenyl)-3-cyclopropylpropanamide
CID 113411984
N-(5-bromo-2-iodophenyl)-4-(bromomethyl)benzamide
CID 114259152
3-[(5-bromo-2-iodophenyl)carbamoylamino]-2-methylpropanoic acid
CID 114260835
2-amino-N-(5-bromo-2-iodophenyl)-3,3-dimethylbutanamide
CID 113288456
2-[(5-bromo-2-iodophenyl)carbamoyl]-3,3-dimethylbutanoic acid
CID 114261245
N-(4-bromo-2-iodophenyl)-3-methylbutanamide
CID 4008135
N-(5-bromo-2-iodophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 113247217

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-iodophenyl)propanamide?
The IUPAC name of N-(5-bromo-2-iodophenyl)propanamide (CID 47076747) is N-(5-bromo-2-iodophenyl)propanamide.
What is the SMILES notation for N-(5-bromo-2-iodophenyl)propanamide?
The canonical SMILES for N-(5-bromo-2-iodophenyl)propanamide is CCC(=O)Nc1cc(Br)ccc1I.
What is the InChIKey of N-(5-bromo-2-iodophenyl)propanamide?
The InChIKey is UMJXUHMJQDLFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrINO/c1-2-9(13)12-8-5-6(10)3-4-7(8)11/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of N-(5-bromo-2-iodophenyl)propanamide?
N-(5-bromo-2-iodophenyl)propanamide has a molecular weight of 353.99 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-iodophenyl)propanamide is sourced from PubChem (CID 47076747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).