3,5-dibromo-N-(2,4-dichlorophenyl)-2-methoxybenzamide

C14H9Br2Cl2NO2 — CID 17111223

IUPAC3,5-dibromo-N-(2,4-dichlorophenyl)-2-methoxybenzamide
SMILESCOc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Br2Cl2NO2/c1-21-13-9(4-7(15)5-10(13)16)14(20)19-12-3-2-8(17)6-11(12)18/h2-6H,1H3,(H,19,20)
InChIKeyOFQXPZDGIVKLJC-UHFFFAOYSA-N
MW453.95 g/mol
LogP5.78
Rot. Bonds3

About 3,5-dibromo-N-(2,4-dichlorophenyl)-2-methoxybenzamide

3,5-dibromo-N-(2,4-dichlorophenyl)-2-methoxybenzamide (PubChem CID 17111223) has the molecular formula C14H9Br2Cl2NO2 and a molecular weight of 453.95 g/mol. Its IUPAC name is 3,5-dibromo-N-(2,4-dichlorophenyl)-2-methoxybenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(2,4-dichlorophenyl)-2-methoxybenzamide
PubChem CID17111223
Molecular FormulaC14H9Br2Cl2NO2
Molecular Weight453.95 g/mol
Exact Mass450.84
IUPAC Name3,5-dibromo-N-(2,4-dichlorophenyl)-2-methoxybenzamide
SMILESCOc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Br2Cl2NO2/c1-21-13-9(4-7(15)5-10(13)16)14(20)19-12-3-2-8(17)6-11(12)18/h2-6H,1H3,(H,19,20)
InChIKeyOFQXPZDGIVKLJC-UHFFFAOYSA-N
XLogP5.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.95
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 22777208
3,5-dibromo-N-(3-chlorophenyl)-2-methoxybenzamide
CID 3324491
3,5-dibromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
CID 3452845
N-(2-aminophenyl)-3,5-dibromo-2-methoxybenzamide
CID 91687679
3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide
CID 5142163
3,5-dibromo-2-methoxy-N-(2-methoxyphenyl)benzamide
CID 3948715
3,5-dibromo-N-[2-chloro-5-(propanoylamino)phenyl]-2-methoxybenzamide
CID 17117679
5-bromo-N-(5-chloro-2-methoxyphenyl)-2-methoxy-3-methylbenzamide
CID 3379612
5-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 35206912
N-(2,4-dichlorophenyl)-2-methoxybenzamide
CID 814241
3-bromo-5-chloro-N-(4-chlorophenyl)-2-methoxybenzamide
CID 67556921
2-bromo-N-(4-bromo-2-chlorophenyl)-4-chlorobenzamide
CID 113257224

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2,4-dichlorophenyl)-2-methoxybenzamide?
The IUPAC name of 3,5-dibromo-N-(2,4-dichlorophenyl)-2-methoxybenzamide (CID 17111223) is 3,5-dibromo-N-(2,4-dichlorophenyl)-2-methoxybenzamide.
What is the SMILES notation for 3,5-dibromo-N-(2,4-dichlorophenyl)-2-methoxybenzamide?
The canonical SMILES for 3,5-dibromo-N-(2,4-dichlorophenyl)-2-methoxybenzamide is COc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 3,5-dibromo-N-(2,4-dichlorophenyl)-2-methoxybenzamide?
The InChIKey is OFQXPZDGIVKLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2Cl2NO2/c1-21-13-9(4-7(15)5-10(13)16)14(20)19-12-3-2-8(17)6-11(12)18/h2-6H,1H3,(H,19,20).
What are the key properties of 3,5-dibromo-N-(2,4-dichlorophenyl)-2-methoxybenzamide?
3,5-dibromo-N-(2,4-dichlorophenyl)-2-methoxybenzamide has a molecular weight of 453.95 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(2,4-dichlorophenyl)-2-methoxybenzamide is sourced from PubChem (CID 17111223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).