N-(4-bromophenyl)-2-(4-iodophenoxy)acetamide

C14H11BrINO2 — CID 55027089

IUPACN-(4-bromophenyl)-2-(4-iodophenoxy)acetamide
SMILESO=C(COc1ccc(I)cc1)Nc1ccc(Br)cc1
InChIInChI=1S/C14H11BrINO2/c15-10-1-5-12(6-2-10)17-14(18)9-19-13-7-3-11(16)4-8-13/h1-8H,9H2,(H,17,18)
InChIKeyFAMBBTMUQVNJAN-UHFFFAOYSA-N
MW432.06 g/mol
LogP4.07
Rot. Bonds4

About N-(4-bromophenyl)-2-(4-iodophenoxy)acetamide

N-(4-bromophenyl)-2-(4-iodophenoxy)acetamide (PubChem CID 55027089) has the molecular formula C14H11BrINO2 and a molecular weight of 432.06 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(4-iodophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(4-iodophenoxy)acetamide
PubChem CID55027089
Molecular FormulaC14H11BrINO2
Molecular Weight432.06 g/mol
Exact Mass430.90
IUPAC NameN-(4-bromophenyl)-2-(4-iodophenoxy)acetamide
SMILESO=C(COc1ccc(I)cc1)Nc1ccc(Br)cc1
InChIInChI=1S/C14H11BrINO2/c15-10-1-5-12(6-2-10)17-14(18)9-19-13-7-3-11(16)4-8-13/h1-8H,9H2,(H,17,18)
InChIKeyFAMBBTMUQVNJAN-UHFFFAOYSA-N
XLogP4.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.06
LogP ≤ 54.07
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

2-[4-[[2-(4-iodophenoxy)acetyl]amino]phenoxy]acetic acid
CID 1288987
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide
CID 1361282
N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide
CID 7818711
2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 759062
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 1256496
2-(4-bromophenoxy)-N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 55989555
N-(4-bromophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093191
4-[[2-(4-iodophenoxy)acetyl]amino]-N-methylbenzamide
CID 9076385
2-(4-bromophenoxy)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 55834611
2-[4-(4-fluorobenzoyl)phenoxy]-N-(4-iodophenyl)acetamide
CID 47003985
N-(4-bromophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 3473577

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(4-iodophenoxy)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(4-iodophenoxy)acetamide (CID 55027089) is N-(4-bromophenyl)-2-(4-iodophenoxy)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(4-iodophenoxy)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(4-iodophenoxy)acetamide is O=C(COc1ccc(I)cc1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(4-iodophenoxy)acetamide?
The InChIKey is FAMBBTMUQVNJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrINO2/c15-10-1-5-12(6-2-10)17-14(18)9-19-13-7-3-11(16)4-8-13/h1-8H,9H2,(H,17,18).
What are the key properties of N-(4-bromophenyl)-2-(4-iodophenoxy)acetamide?
N-(4-bromophenyl)-2-(4-iodophenoxy)acetamide has a molecular weight of 432.06 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(4-iodophenoxy)acetamide is sourced from PubChem (CID 55027089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).