2-(2-bromo-4-chlorophenoxy)-N-[(3-fluorophenyl)methyl]acetamide

C15H12BrClFNO2 — CID 46447882

IUPAC2-(2-bromo-4-chlorophenoxy)-N-[(3-fluorophenyl)methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)NCc1cccc(F)c1
InChIInChI=1S/C15H12BrClFNO2/c16-13-7-11(17)4-5-14(13)21-9-15(20)19-8-10-2-1-3-12(18)6-10/h1-7H,8-9H2,(H,19,20)
InChIKeyUASPHHYTGPNDDK-UHFFFAOYSA-N
MW372.62 g/mol
LogP3.94
Rot. Bonds5

About 2-(2-bromo-4-chlorophenoxy)-N-[(3-fluorophenyl)methyl]acetamide

2-(2-bromo-4-chlorophenoxy)-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 46447882) has the molecular formula C15H12BrClFNO2 and a molecular weight of 372.62 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID46447882
Molecular FormulaC15H12BrClFNO2
Molecular Weight372.62 g/mol
Exact Mass370.97
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-[(3-fluorophenyl)methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)NCc1cccc(F)c1
InChIInChI=1S/C15H12BrClFNO2/c16-13-7-11(17)4-5-14(13)21-9-15(20)19-8-10-2-1-3-12(18)6-10/h1-7H,8-9H2,(H,19,20)
InChIKeyUASPHHYTGPNDDK-UHFFFAOYSA-N
XLogP3.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.62
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 7610294
2-(2-bromo-4-chlorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 1287444
2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 1289065
2-(2-bromo-4-chlorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7975078
2-(4-chloro-2-methylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide
CID 55945767
3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]benzoic acid
CID 108767736
3-[[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]methyl]benzamide
CID 32636811
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]acetic acid
CID 43091937
2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 47161047
2-[2-(benzylamino)-2-oxoethoxy]-5-chlorobenzoic acid
CID 45417869
2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 9427637
2-(2,4-dichlorophenoxy)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 43908495

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[(3-fluorophenyl)methyl]acetamide (CID 46447882) is 2-(2-bromo-4-chlorophenoxy)-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-[(3-fluorophenyl)methyl]acetamide is O=C(COc1ccc(Cl)cc1Br)NCc1cccc(F)c1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is UASPHHYTGPNDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO2/c16-13-7-11(17)4-5-14(13)21-9-15(20)19-8-10-2-1-3-12(18)6-10/h1-7H,8-9H2,(H,19,20).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-[(3-fluorophenyl)methyl]acetamide?
2-(2-bromo-4-chlorophenoxy)-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 372.62 g/mol, XLogP of 3.94, 5 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-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 46447882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).