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

C10H11BrINO2 — CID 47403053

IUPACN-(5-bromo-2-iodophenyl)-2-methoxypropanamide
SMILESCOC(C)C(=O)Nc1cc(Br)ccc1I
InChIInChI=1S/C10H11BrINO2/c1-6(15-2)10(14)13-9-5-7(11)3-4-8(9)12/h3-6H,1-2H3,(H,13,14)
InChIKeyLNBXFGPXMYDWCC-UHFFFAOYSA-N
MW384.01 g/mol
LogP3.03
Rot. Bonds3

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

N-(5-bromo-2-iodophenyl)-2-methoxypropanamide (PubChem CID 47403053) has the molecular formula C10H11BrINO2 and a molecular weight of 384.01 g/mol. Its IUPAC name is N-(5-bromo-2-iodophenyl)-2-methoxypropanamide.

Molecular Properties

Compound NameN-(5-bromo-2-iodophenyl)-2-methoxypropanamide
PubChem CID47403053
Molecular FormulaC10H11BrINO2
Molecular Weight384.01 g/mol
Exact Mass382.90
IUPAC NameN-(5-bromo-2-iodophenyl)-2-methoxypropanamide
SMILESCOC(C)C(=O)Nc1cc(Br)ccc1I
InChIInChI=1S/C10H11BrINO2/c1-6(15-2)10(14)13-9-5-7(11)3-4-8(9)12/h3-6H,1-2H3,(H,13,14)
InChIKeyLNBXFGPXMYDWCC-UHFFFAOYSA-N
XLogP3.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.01
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(5-bromo-2-iodophenyl)carbamate
CID 130159713
methyl 4-bromo-2-(2-methoxypropanoylamino)benzoate
CID 126841119
2-amino-N-(5-bromo-2-iodophenyl)-3,3-dimethylbutanamide
CID 113288456
2-[(5-bromo-2-iodophenyl)carbamoyl]-3,3-dimethylbutanoic acid
CID 114261245
(2R)-N-(4-bromo-2-nitrophenyl)-2-methoxypropanamide
CID 177353774
3-[(5-bromo-2-iodophenyl)carbamoylamino]-2-methylpropanoic acid
CID 114260835
N-(5-bromo-2-iodophenyl)propanamide
CID 47076747
(2R)-2-amino-N-(2-iodo-5-methoxyphenyl)propanamide
CID 119307887
(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)propanamide;hydrochloride
CID 119292528
2-amino-N-(2-iodo-5-methoxyphenyl)propanamide;hydrochloride
CID 119307884
1-(5-bromo-2-iodoanilino)propan-2-ol
CID 130499138
2-(5-bromo-2-iodoanilino)-N-prop-2-enylpropanamide
CID 114260277

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-iodophenyl)-2-methoxypropanamide?
The IUPAC name of N-(5-bromo-2-iodophenyl)-2-methoxypropanamide (CID 47403053) is N-(5-bromo-2-iodophenyl)-2-methoxypropanamide.
What is the SMILES notation for N-(5-bromo-2-iodophenyl)-2-methoxypropanamide?
The canonical SMILES for N-(5-bromo-2-iodophenyl)-2-methoxypropanamide is COC(C)C(=O)Nc1cc(Br)ccc1I.
What is the InChIKey of N-(5-bromo-2-iodophenyl)-2-methoxypropanamide?
The InChIKey is LNBXFGPXMYDWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrINO2/c1-6(15-2)10(14)13-9-5-7(11)3-4-8(9)12/h3-6H,1-2H3,(H,13,14).
What are the key properties of N-(5-bromo-2-iodophenyl)-2-methoxypropanamide?
N-(5-bromo-2-iodophenyl)-2-methoxypropanamide has a molecular weight of 384.01 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-iodophenyl)-2-methoxypropanamide is sourced from PubChem (CID 47403053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).