2-(2-bromo-4-chlorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide

C16H14BrClFNO2 — CID 7975078

IUPAC2-(2-bromo-4-chlorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)NCCc1ccc(F)cc1
InChIInChI=1S/C16H14BrClFNO2/c17-14-9-12(18)3-6-15(14)22-10-16(21)20-8-7-11-1-4-13(19)5-2-11/h1-6,9H,7-8,10H2,(H,20,21)
InChIKeyIVHLNWJBDDRBSW-UHFFFAOYSA-N
MW386.65 g/mol
LogP3.98
Rot. Bonds6

About 2-(2-bromo-4-chlorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide

2-(2-bromo-4-chlorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 7975078) has the molecular formula C16H14BrClFNO2 and a molecular weight of 386.65 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID7975078
Molecular FormulaC16H14BrClFNO2
Molecular Weight386.65 g/mol
Exact Mass384.99
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)NCCc1ccc(F)cc1
InChIInChI=1S/C16H14BrClFNO2/c17-14-9-12(18)3-6-15(14)22-10-16(21)20-8-7-11-1-4-13(19)5-2-11/h1-6,9H,7-8,10H2,(H,20,21)
InChIKeyIVHLNWJBDDRBSW-UHFFFAOYSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.65
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dibromophenoxy)acetamide
CID 2632590
2-(2-bromo-4-chlorophenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2627423
2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 99993663
2-(2-bromo-4-chlorophenoxy)-N-[(3-fluorophenyl)methyl]acetamide
CID 46447882
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7700300
methyl 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]propanoate
CID 17401669
2-(2-bromo-4-chlorophenoxy)-N-pentylacetamide
CID 19201316
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]acetic acid
CID 43091937
2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 1289065
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 7722923
N-[2-(4-chlorophenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2691003
N-(2-benzylsulfanylethyl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 7488647

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 7975078) is 2-(2-bromo-4-chlorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide is O=C(COc1ccc(Cl)cc1Br)NCCc1ccc(F)cc1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is IVHLNWJBDDRBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFNO2/c17-14-9-12(18)3-6-15(14)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 2-(2-bromo-4-chlorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-(2-bromo-4-chlorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 386.65 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 7975078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).