N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide

C17H17Br2NO2 — CID 17252223

IUPACN-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1cc(Br)ccc1OCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C17H17Br2NO2/c1-11(2)15-9-13(19)6-7-16(15)22-10-17(21)20-14-5-3-4-12(18)8-14/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyBXULMUIERPPMJT-UHFFFAOYSA-N
MW427.14 g/mol
LogP5.35
Rot. Bonds5

About N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide

N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide (PubChem CID 17252223) has the molecular formula C17H17Br2NO2 and a molecular weight of 427.14 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
PubChem CID17252223
Molecular FormulaC17H17Br2NO2
Molecular Weight427.14 g/mol
Exact Mass424.96
IUPAC NameN-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1cc(Br)ccc1OCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C17H17Br2NO2/c1-11(2)15-9-13(19)6-7-16(15)22-10-17(21)20-14-5-3-4-12(18)8-14/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyBXULMUIERPPMJT-UHFFFAOYSA-N
XLogP5.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.14
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 17189024
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 17188857
N-(3-bromophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1181239
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-phenylacetamide
CID 62369379
2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 17188963
N-[5-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
CID 46761161
2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-fluorophenyl)acetamide
CID 17188911
2-(2-bromo-4-chlorophenoxy)-N-(3-bromophenyl)acetamide
CID 19202088
N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876443
N-[4-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-4-tert-butylbenzamide
CID 17235130
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetohydrazide
CID 17189105
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 115401934

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide (CID 17252223) is N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide is CC(C)c1cc(Br)ccc1OCC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide?
The InChIKey is BXULMUIERPPMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Br2NO2/c1-11(2)15-9-13(19)6-7-16(15)22-10-17(21)20-14-5-3-4-12(18)8-14/h3-9,11H,10H2,1-2H3,(H,20,21).
What are the key properties of N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide?
N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide has a molecular weight of 427.14 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 17252223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).