2-(2-bromo-4-fluorophenoxy)-N-[5-chloro-2-(3-methylphenoxy)phenyl]acetamide

C21H16BrClFNO3 — CID 2086544

IUPAC2-(2-bromo-4-fluorophenoxy)-N-[5-chloro-2-(3-methylphenoxy)phenyl]acetamide
SMILESCc1cccc(Oc2ccc(Cl)cc2NC(=O)COc2ccc(F)cc2Br)c1
InChIInChI=1S/C21H16BrClFNO3/c1-13-3-2-4-16(9-13)28-20-7-5-14(23)10-18(20)25-21(26)12-27-19-8-6-15(24)11-17(19)22/h2-11H,12H2,1H3,(H,25,26)
InChIKeyQNKOVYLCUUNVJK-UHFFFAOYSA-N
MW464.72 g/mol
LogP6.36
Rot. Bonds6

About 2-(2-bromo-4-fluorophenoxy)-N-[5-chloro-2-(3-methylphenoxy)phenyl]acetamide

2-(2-bromo-4-fluorophenoxy)-N-[5-chloro-2-(3-methylphenoxy)phenyl]acetamide (PubChem CID 2086544) has the molecular formula C21H16BrClFNO3 and a molecular weight of 464.72 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-[5-chloro-2-(3-methylphenoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-[5-chloro-2-(3-methylphenoxy)phenyl]acetamide
PubChem CID2086544
Molecular FormulaC21H16BrClFNO3
Molecular Weight464.72 g/mol
Exact Mass463.00
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-[5-chloro-2-(3-methylphenoxy)phenyl]acetamide
SMILESCc1cccc(Oc2ccc(Cl)cc2NC(=O)COc2ccc(F)cc2Br)c1
InChIInChI=1S/C21H16BrClFNO3/c1-13-3-2-4-16(9-13)28-20-7-5-14(23)10-18(20)25-21(26)12-27-19-8-6-15(24)11-17(19)22/h2-11H,12H2,1H3,(H,25,26)
InChIKeyQNKOVYLCUUNVJK-UHFFFAOYSA-N
XLogP6.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.72
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 1183702
N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)acetamide
CID 1297407
N-[4-[(4-bromophenyl)methoxy]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 162670086
2-(4-chloro-3-methylphenoxy)-N-(2-fluorophenyl)acetamide
CID 723359
2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)methoxy]phenyl]-2-methylpropanamide
CID 162643651
Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 2-bromo-4-fluorophenyl ester
CID 91737465
N-(3-chloro-4-fluorophenyl)-2-(2,5-dimethylphenoxy)acetamide
CID 806640
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 776798
N-(5-chloro-2-methoxyphenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 801762
Cambridge id 6985902
CID 802532
N-(5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 808228
2-(4-tert-butylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 873905

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[5-chloro-2-(3-methylphenoxy)phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[5-chloro-2-(3-methylphenoxy)phenyl]acetamide (CID 2086544) is 2-(2-bromo-4-fluorophenoxy)-N-[5-chloro-2-(3-methylphenoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-[5-chloro-2-(3-methylphenoxy)phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-[5-chloro-2-(3-methylphenoxy)phenyl]acetamide is Cc1cccc(Oc2ccc(Cl)cc2NC(=O)COc2ccc(F)cc2Br)c1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-[5-chloro-2-(3-methylphenoxy)phenyl]acetamide?
The InChIKey is QNKOVYLCUUNVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrClFNO3/c1-13-3-2-4-16(9-13)28-20-7-5-14(23)10-18(20)25-21(26)12-27-19-8-6-15(24)11-17(19)22/h2-11H,12H2,1H3,(H,25,26).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-[5-chloro-2-(3-methylphenoxy)phenyl]acetamide?
2-(2-bromo-4-fluorophenoxy)-N-[5-chloro-2-(3-methylphenoxy)phenyl]acetamide has a molecular weight of 464.72 g/mol, XLogP of 6.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-[5-chloro-2-(3-methylphenoxy)phenyl]acetamide is sourced from PubChem (CID 2086544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).