N-(4-bromo-3-iodophenyl)-2-phenoxyacetamide

C14H11BrINO2 — CID 114259290

IUPACN-(4-bromo-3-iodophenyl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(Br)c(I)c1
InChIInChI=1S/C14H11BrINO2/c15-12-7-6-10(8-13(12)16)17-14(18)9-19-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18)
InChIKeyAQKQLGMAOHNKTH-UHFFFAOYSA-N
MW432.06 g/mol
LogP4.07
Rot. Bonds4

About N-(4-bromo-3-iodophenyl)-2-phenoxyacetamide

N-(4-bromo-3-iodophenyl)-2-phenoxyacetamide (PubChem CID 114259290) has the molecular formula C14H11BrINO2 and a molecular weight of 432.06 g/mol. Its IUPAC name is N-(4-bromo-3-iodophenyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(4-bromo-3-iodophenyl)-2-phenoxyacetamide
PubChem CID114259290
Molecular FormulaC14H11BrINO2
Molecular Weight432.06 g/mol
Exact Mass430.90
IUPAC NameN-(4-bromo-3-iodophenyl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(Br)c(I)c1
InChIInChI=1S/C14H11BrINO2/c15-12-7-6-10(8-13(12)16)17-14(18)9-19-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18)
InChIKeyAQKQLGMAOHNKTH-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

N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenoxyacetamide
CID 46736695
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
CID 55901957
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
2-iodo-5-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid
CID 2193275
N-[4-(bromomethyl)phenyl]-2-phenoxyacetamide
CID 114310874
N-(3-hydroxy-4-methylphenyl)-2-phenoxyacetamide
CID 837184
N-(3-fluoro-4-hydroxyphenyl)-2-phenoxyacetamide
CID 64780486
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 2542293
2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide
CID 4227761
N-(3-chloro-4-fluorophenyl)-2-phenoxyacetamide
CID 924892
N-[3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231269
N-[3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231401

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-iodophenyl)-2-phenoxyacetamide?
The IUPAC name of N-(4-bromo-3-iodophenyl)-2-phenoxyacetamide (CID 114259290) is N-(4-bromo-3-iodophenyl)-2-phenoxyacetamide.
What is the SMILES notation for N-(4-bromo-3-iodophenyl)-2-phenoxyacetamide?
The canonical SMILES for N-(4-bromo-3-iodophenyl)-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc(Br)c(I)c1.
What is the InChIKey of N-(4-bromo-3-iodophenyl)-2-phenoxyacetamide?
The InChIKey is AQKQLGMAOHNKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrINO2/c15-12-7-6-10(8-13(12)16)17-14(18)9-19-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18).
What are the key properties of N-(4-bromo-3-iodophenyl)-2-phenoxyacetamide?
N-(4-bromo-3-iodophenyl)-2-phenoxyacetamide 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-bromo-3-iodophenyl)-2-phenoxyacetamide is sourced from PubChem (CID 114259290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).