3-bromo-N-(2-bromo-5-methoxyphenyl)-2-chlorobenzamide

C14H10Br2ClNO2 — CID 103989322

IUPAC3-bromo-N-(2-bromo-5-methoxyphenyl)-2-chlorobenzamide
SMILESCOc1ccc(Br)c(NC(=O)c2cccc(Br)c2Cl)c1
InChIInChI=1S/C14H10Br2ClNO2/c1-20-8-5-6-10(15)12(7-8)18-14(19)9-3-2-4-11(16)13(9)17/h2-7H,1H3,(H,18,19)
InChIKeyQTGYVJXSGDFXKU-UHFFFAOYSA-N
MW419.50 g/mol
LogP5.13
Rot. Bonds3

About 3-bromo-N-(2-bromo-5-methoxyphenyl)-2-chlorobenzamide

3-bromo-N-(2-bromo-5-methoxyphenyl)-2-chlorobenzamide (PubChem CID 103989322) has the molecular formula C14H10Br2ClNO2 and a molecular weight of 419.50 g/mol. Its IUPAC name is 3-bromo-N-(2-bromo-5-methoxyphenyl)-2-chlorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-bromo-5-methoxyphenyl)-2-chlorobenzamide
PubChem CID103989322
Molecular FormulaC14H10Br2ClNO2
Molecular Weight419.50 g/mol
Exact Mass416.88
IUPAC Name3-bromo-N-(2-bromo-5-methoxyphenyl)-2-chlorobenzamide
SMILESCOc1ccc(Br)c(NC(=O)c2cccc(Br)c2Cl)c1
InChIInChI=1S/C14H10Br2ClNO2/c1-20-8-5-6-10(15)12(7-8)18-14(19)9-3-2-4-11(16)13(9)17/h2-7H,1H3,(H,18,19)
InChIKeyQTGYVJXSGDFXKU-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

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CID 62416238
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3-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide
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N-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide
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2-bromo-N-(2-bromo-3-chlorophenyl)-5-methoxybenzamide
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N-(2-bromo-5-methoxyphenyl)-2-methoxy-5-methylbenzamide
CID 62415657
5-bromo-N-(2,5-dimethoxyphenyl)naphthalene-1-carboxamide
CID 1369979
3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 103975255
3-bromo-2-chloro-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 103985511
2-bromo-N-(2,6-dichlorophenyl)-5-methoxybenzamide
CID 60629817
N-(2-bromo-5-methoxyphenyl)-3-chloro-4-methylbenzamide
CID 63235634
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CID 103985509

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromo-5-methoxyphenyl)-2-chlorobenzamide?
The IUPAC name of 3-bromo-N-(2-bromo-5-methoxyphenyl)-2-chlorobenzamide (CID 103989322) is 3-bromo-N-(2-bromo-5-methoxyphenyl)-2-chlorobenzamide.
What is the SMILES notation for 3-bromo-N-(2-bromo-5-methoxyphenyl)-2-chlorobenzamide?
The canonical SMILES for 3-bromo-N-(2-bromo-5-methoxyphenyl)-2-chlorobenzamide is COc1ccc(Br)c(NC(=O)c2cccc(Br)c2Cl)c1.
What is the InChIKey of 3-bromo-N-(2-bromo-5-methoxyphenyl)-2-chlorobenzamide?
The InChIKey is QTGYVJXSGDFXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClNO2/c1-20-8-5-6-10(15)12(7-8)18-14(19)9-3-2-4-11(16)13(9)17/h2-7H,1H3,(H,18,19).
What are the key properties of 3-bromo-N-(2-bromo-5-methoxyphenyl)-2-chlorobenzamide?
3-bromo-N-(2-bromo-5-methoxyphenyl)-2-chlorobenzamide 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 3-bromo-N-(2-bromo-5-methoxyphenyl)-2-chlorobenzamide is sourced from PubChem (CID 103989322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).