N-(4-bromo-2-fluorophenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide

C15H11BrCl2FNO2 — CID 2275203

IUPACN-(4-bromo-2-fluorophenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
SMILESCc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H11BrCl2FNO2/c1-8-4-10(17)6-11(18)15(8)22-7-14(21)20-13-3-2-9(16)5-12(13)19/h2-6H,7H2,1H3,(H,20,21)
InChIKeyOGJNIULEXDCXBA-UHFFFAOYSA-N
MW407.07 g/mol
LogP5.22
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide

N-(4-bromo-2-fluorophenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide (PubChem CID 2275203) has the molecular formula C15H11BrCl2FNO2 and a molecular weight of 407.07 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
PubChem CID2275203
Molecular FormulaC15H11BrCl2FNO2
Molecular Weight407.07 g/mol
Exact Mass404.93
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
SMILESCc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H11BrCl2FNO2/c1-8-4-10(17)6-11(18)15(8)22-7-14(21)20-13-3-2-9(16)5-12(13)19/h2-6H,7H2,1H3,(H,20,21)
InChIKeyOGJNIULEXDCXBA-UHFFFAOYSA-N
XLogP5.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.07
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-4-chlorophenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 91689111
2-(2-bromo-4-chlorophenoxy)-N-(4-bromo-2-fluorophenyl)acetamide
CID 30795617
N-(4-bromo-2-fluorophenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 4270758
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 35564996
2-(2-bromo-4,6-dimethylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 23909609
2-(2,4-dichloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 1121099
N-(4-chloro-2-methylphenyl)-2-(2,4-dibromophenoxy)acetamide
CID 1189036
2-(2-bromo-4,6-dichlorophenoxy)-N-(2-fluorophenyl)acetamide
CID 17095373
2-(2-bromo-4,6-dichlorophenoxy)-N-[4-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 19628023
2-(2-chloro-4,6-dimethylphenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 4512628
N-(5-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 8759054
N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3489380

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide (CID 2275203) is N-(4-bromo-2-fluorophenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide is Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide?
The InChIKey is OGJNIULEXDCXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2FNO2/c1-8-4-10(17)6-11(18)15(8)22-7-14(21)20-13-3-2-9(16)5-12(13)19/h2-6H,7H2,1H3,(H,20,21).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide?
N-(4-bromo-2-fluorophenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide has a molecular weight of 407.07 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide is sourced from PubChem (CID 2275203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).