2-bromo-N-(2-bromo-3-chlorophenyl)-5-methoxybenzamide

C14H10Br2ClNO2 — CID 103479738

IUPAC2-bromo-N-(2-bromo-3-chlorophenyl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2cccc(Cl)c2Br)c1
InChIInChI=1S/C14H10Br2ClNO2/c1-20-8-5-6-10(15)9(7-8)14(19)18-12-4-2-3-11(17)13(12)16/h2-7H,1H3,(H,18,19)
InChIKeyAEDYQRHGHCULDJ-UHFFFAOYSA-N
MW419.50 g/mol
LogP5.13
Rot. Bonds3

About 2-bromo-N-(2-bromo-3-chlorophenyl)-5-methoxybenzamide

2-bromo-N-(2-bromo-3-chlorophenyl)-5-methoxybenzamide (PubChem CID 103479738) has the molecular formula C14H10Br2ClNO2 and a molecular weight of 419.50 g/mol. Its IUPAC name is 2-bromo-N-(2-bromo-3-chlorophenyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-bromo-3-chlorophenyl)-5-methoxybenzamide
PubChem CID103479738
Molecular FormulaC14H10Br2ClNO2
Molecular Weight419.50 g/mol
Exact Mass416.88
IUPAC Name2-bromo-N-(2-bromo-3-chlorophenyl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2cccc(Cl)c2Br)c1
InChIInChI=1S/C14H10Br2ClNO2/c1-20-8-5-6-10(15)9(7-8)14(19)18-12-4-2-3-11(17)13(12)16/h2-7H,1H3,(H,18,19)
InChIKeyAEDYQRHGHCULDJ-UHFFFAOYSA-N
XLogP5.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.50
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(2,6-dichlorophenyl)-5-methoxybenzamide
CID 60629817
2-bromo-N-(2,5-dichlorophenyl)-5-methoxybenzamide
CID 7899907
2-bromo-N-(3-hydroxy-2-methylphenyl)-5-methoxybenzamide
CID 64793819
2-bromo-N-(5-bromo-2-chlorophenyl)-5-methoxybenzamide
CID 62908603
2-bromo-5-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 51218207
3-bromo-N-(2-bromo-5-methoxyphenyl)-2-chlorobenzamide
CID 103989322
1-(2-bromo-3-chlorophenyl)-3-(3-methoxyphenyl)urea
CID 103480109
2-bromo-5-methoxy-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43600896
2-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-5-methoxybenzamide
CID 102979484
2-bromo-5-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 18190907
2-bromo-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide
CID 43580467
2-bromo-5-methoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 26706709

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-bromo-3-chlorophenyl)-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-(2-bromo-3-chlorophenyl)-5-methoxybenzamide (CID 103479738) is 2-bromo-N-(2-bromo-3-chlorophenyl)-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-(2-bromo-3-chlorophenyl)-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-(2-bromo-3-chlorophenyl)-5-methoxybenzamide is COc1ccc(Br)c(C(=O)Nc2cccc(Cl)c2Br)c1.
What is the InChIKey of 2-bromo-N-(2-bromo-3-chlorophenyl)-5-methoxybenzamide?
The InChIKey is AEDYQRHGHCULDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClNO2/c1-20-8-5-6-10(15)9(7-8)14(19)18-12-4-2-3-11(17)13(12)16/h2-7H,1H3,(H,18,19).
What are the key properties of 2-bromo-N-(2-bromo-3-chlorophenyl)-5-methoxybenzamide?
2-bromo-N-(2-bromo-3-chlorophenyl)-5-methoxybenzamide has a molecular weight of 419.50 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-bromo-3-chlorophenyl)-5-methoxybenzamide is sourced from PubChem (CID 103479738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).