N-(4-bromo-2-iodophenyl)-2-(4-bromophenoxy)acetamide

C14H10Br2INO2 — CID 3967654

IUPACN-(4-bromo-2-iodophenyl)-2-(4-bromophenoxy)acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccc(Br)cc1I
InChIInChI=1S/C14H10Br2INO2/c15-9-1-4-11(5-2-9)20-8-14(19)18-13-6-3-10(16)7-12(13)17/h1-7H,8H2,(H,18,19)
InChIKeyLLFCXSGFTAKCEK-UHFFFAOYSA-N
MW510.95 g/mol
LogP4.83
Rot. Bonds4

About N-(4-bromo-2-iodophenyl)-2-(4-bromophenoxy)acetamide

N-(4-bromo-2-iodophenyl)-2-(4-bromophenoxy)acetamide (PubChem CID 3967654) has the molecular formula C14H10Br2INO2 and a molecular weight of 510.95 g/mol. Its IUPAC name is N-(4-bromo-2-iodophenyl)-2-(4-bromophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-iodophenyl)-2-(4-bromophenoxy)acetamide
PubChem CID3967654
Molecular FormulaC14H10Br2INO2
Molecular Weight510.95 g/mol
Exact Mass508.81
IUPAC NameN-(4-bromo-2-iodophenyl)-2-(4-bromophenoxy)acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccc(Br)cc1I
InChIInChI=1S/C14H10Br2INO2/c15-9-1-4-11(5-2-9)20-8-14(19)18-13-6-3-10(16)7-12(13)17/h1-7H,8H2,(H,18,19)
InChIKeyLLFCXSGFTAKCEK-UHFFFAOYSA-N
XLogP4.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.95
LogP ≤ 54.83
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

N-(4-bromo-2-iodophenyl)-2-(4-tert-butylphenoxy)acetamide
CID 3872466
N-(4-bromo-2-iodophenyl)-2-(4-cyclohexylphenoxy)acetamide
CID 3925742
N-(4-bromo-2-iodophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 3608675
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 874144
N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide
CID 7613552
N-(4-bromophenyl)-2-(4-iodophenoxy)acetamide
CID 55027089
2-(4-bromophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 2631889
N-(2-amino-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 43376437
2-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877
N-(4-bromo-2-iodophenyl)-4-propoxybenzamide
CID 3888317
2-[[2-(4-bromophenoxy)acetyl]amino]-5-chlorobenzoic acid
CID 1026108
N-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 53267518

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-iodophenyl)-2-(4-bromophenoxy)acetamide?
The IUPAC name of N-(4-bromo-2-iodophenyl)-2-(4-bromophenoxy)acetamide (CID 3967654) is N-(4-bromo-2-iodophenyl)-2-(4-bromophenoxy)acetamide.
What is the SMILES notation for N-(4-bromo-2-iodophenyl)-2-(4-bromophenoxy)acetamide?
The canonical SMILES for N-(4-bromo-2-iodophenyl)-2-(4-bromophenoxy)acetamide is O=C(COc1ccc(Br)cc1)Nc1ccc(Br)cc1I.
What is the InChIKey of N-(4-bromo-2-iodophenyl)-2-(4-bromophenoxy)acetamide?
The InChIKey is LLFCXSGFTAKCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2INO2/c15-9-1-4-11(5-2-9)20-8-14(19)18-13-6-3-10(16)7-12(13)17/h1-7H,8H2,(H,18,19).
What are the key properties of N-(4-bromo-2-iodophenyl)-2-(4-bromophenoxy)acetamide?
N-(4-bromo-2-iodophenyl)-2-(4-bromophenoxy)acetamide has a molecular weight of 510.95 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-iodophenyl)-2-(4-bromophenoxy)acetamide is sourced from PubChem (CID 3967654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).