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

C20H21BrINO2 — CID 3925742

IUPACN-(4-bromo-2-iodophenyl)-2-(4-cyclohexylphenoxy)acetamide
SMILESO=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(Br)cc1I
InChIInChI=1S/C20H21BrINO2/c21-16-8-11-19(18(22)12-16)23-20(24)13-25-17-9-6-15(7-10-17)14-4-2-1-3-5-14/h6-12,14H,1-5,13H2,(H,23,24)
InChIKeyXNBWSLMHXKPOFC-UHFFFAOYSA-N
MW514.20 g/mol
LogP6.12
Rot. Bonds5

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

N-(4-bromo-2-iodophenyl)-2-(4-cyclohexylphenoxy)acetamide (PubChem CID 3925742) has the molecular formula C20H21BrINO2 and a molecular weight of 514.20 g/mol. Its IUPAC name is N-(4-bromo-2-iodophenyl)-2-(4-cyclohexylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-iodophenyl)-2-(4-cyclohexylphenoxy)acetamide
PubChem CID3925742
Molecular FormulaC20H21BrINO2
Molecular Weight514.20 g/mol
Exact Mass512.98
IUPAC NameN-(4-bromo-2-iodophenyl)-2-(4-cyclohexylphenoxy)acetamide
SMILESO=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(Br)cc1I
InChIInChI=1S/C20H21BrINO2/c21-16-8-11-19(18(22)12-16)23-20(24)13-25-17-9-6-15(7-10-17)14-4-2-1-3-5-14/h6-12,14H,1-5,13H2,(H,23,24)
InChIKeyXNBWSLMHXKPOFC-UHFFFAOYSA-N
XLogP6.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.20
LogP ≤ 56.12
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-bromophenoxy)acetamide
CID 3967654
2-(4-cyclohexylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide
CID 23095771
N-(4-bromo-2-iodophenyl)-2-(4-tert-butylphenoxy)acetamide
CID 3872466
2,4-dichloro-5-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
CID 28677401
N-(4-bromo-2-iodophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 3608675
2-(4-cyclohexylphenoxy)-N-naphthalen-2-ylacetamide
CID 21234083
4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
CID 17172239
N-[2-(1,3-benzothiazol-2-yl)-4,6-dibromophenyl]-2-(4-cyclohexylphenoxy)acetamide
CID 17318563
2-chloro-4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
CID 28677426
2-(4-cyclopentylphenoxy)acetic acid
CID 23274257
2-(4-cyclohexylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 621407
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 874144

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-iodophenyl)-2-(4-cyclohexylphenoxy)acetamide?
The IUPAC name of N-(4-bromo-2-iodophenyl)-2-(4-cyclohexylphenoxy)acetamide (CID 3925742) is N-(4-bromo-2-iodophenyl)-2-(4-cyclohexylphenoxy)acetamide.
What is the SMILES notation for N-(4-bromo-2-iodophenyl)-2-(4-cyclohexylphenoxy)acetamide?
The canonical SMILES for N-(4-bromo-2-iodophenyl)-2-(4-cyclohexylphenoxy)acetamide is O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(Br)cc1I.
What is the InChIKey of N-(4-bromo-2-iodophenyl)-2-(4-cyclohexylphenoxy)acetamide?
The InChIKey is XNBWSLMHXKPOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrINO2/c21-16-8-11-19(18(22)12-16)23-20(24)13-25-17-9-6-15(7-10-17)14-4-2-1-3-5-14/h6-12,14H,1-5,13H2,(H,23,24).
What are the key properties of N-(4-bromo-2-iodophenyl)-2-(4-cyclohexylphenoxy)acetamide?
N-(4-bromo-2-iodophenyl)-2-(4-cyclohexylphenoxy)acetamide has a molecular weight of 514.20 g/mol, XLogP of 6.12, 5 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-cyclohexylphenoxy)acetamide is sourced from PubChem (CID 3925742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).