N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dibromophenoxy)acetamide

C16H14Br2ClNO2 — CID 2632590

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(2,4-dibromophenoxy)acetamide
SMILESO=C(COc1ccc(Br)cc1Br)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H14Br2ClNO2/c17-12-3-6-15(14(18)9-12)22-10-16(21)20-8-7-11-1-4-13(19)5-2-11/h1-6,9H,7-8,10H2,(H,20,21)
InChIKeyUUCAMDZSRFFPNC-UHFFFAOYSA-N
MW447.55 g/mol
LogP4.60
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dibromophenoxy)acetamide

N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dibromophenoxy)acetamide (PubChem CID 2632590) has the molecular formula C16H14Br2ClNO2 and a molecular weight of 447.55 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dibromophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(2,4-dibromophenoxy)acetamide
PubChem CID2632590
Molecular FormulaC16H14Br2ClNO2
Molecular Weight447.55 g/mol
Exact Mass444.91
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(2,4-dibromophenoxy)acetamide
SMILESO=C(COc1ccc(Br)cc1Br)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H14Br2ClNO2/c17-12-3-6-15(14(18)9-12)22-10-16(21)20-8-7-11-1-4-13(19)5-2-11/h1-6,9H,7-8,10H2,(H,20,21)
InChIKeyUUCAMDZSRFFPNC-UHFFFAOYSA-N
XLogP4.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.55
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7975078
2-(2-bromo-4-chlorophenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2627423
2-(2-chloro-5-methylphenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 2677051
N-[2-(4-chlorophenyl)ethyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978044
3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide
CID 108541625
2-(2-bromo-4-propylphenoxy)-N-(2-phenylethyl)acetamide
CID 19201978
methyl 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]propanoate
CID 17401669
2-(2-bromo-4-chlorophenoxy)-N-pentylacetamide
CID 19201316
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 2709028
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 2569917
5-bromo-2-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoate
CID 7366889
2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 1289065

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dibromophenoxy)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dibromophenoxy)acetamide (CID 2632590) is N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dibromophenoxy)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dibromophenoxy)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dibromophenoxy)acetamide is O=C(COc1ccc(Br)cc1Br)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dibromophenoxy)acetamide?
The InChIKey is UUCAMDZSRFFPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2ClNO2/c17-12-3-6-15(14(18)9-12)22-10-16(21)20-8-7-11-1-4-13(19)5-2-11/h1-6,9H,7-8,10H2,(H,20,21).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dibromophenoxy)acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dibromophenoxy)acetamide has a molecular weight of 447.55 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dibromophenoxy)acetamide is sourced from PubChem (CID 2632590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).