3,5-dibromo-N-(2,6-dichloro-3-methylphenyl)benzamide

C14H9Br2Cl2NO — CID 107979976

IUPAC3,5-dibromo-N-(2,6-dichloro-3-methylphenyl)benzamide
SMILESCc1ccc(Cl)c(NC(=O)c2cc(Br)cc(Br)c2)c1Cl
InChIInChI=1S/C14H9Br2Cl2NO/c1-7-2-3-11(17)13(12(7)18)19-14(20)8-4-9(15)6-10(16)5-8/h2-6H,1H3,(H,19,20)
InChIKeyQRUWTGMBUYJXFK-UHFFFAOYSA-N
MW437.95 g/mol
LogP6.08
Rot. Bonds2

About 3,5-dibromo-N-(2,6-dichloro-3-methylphenyl)benzamide

3,5-dibromo-N-(2,6-dichloro-3-methylphenyl)benzamide (PubChem CID 107979976) has the molecular formula C14H9Br2Cl2NO and a molecular weight of 437.95 g/mol. Its IUPAC name is 3,5-dibromo-N-(2,6-dichloro-3-methylphenyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(2,6-dichloro-3-methylphenyl)benzamide
PubChem CID107979976
Molecular FormulaC14H9Br2Cl2NO
Molecular Weight437.95 g/mol
Exact Mass434.84
IUPAC Name3,5-dibromo-N-(2,6-dichloro-3-methylphenyl)benzamide
SMILESCc1ccc(Cl)c(NC(=O)c2cc(Br)cc(Br)c2)c1Cl
InChIInChI=1S/C14H9Br2Cl2NO/c1-7-2-3-11(17)13(12(7)18)19-14(20)8-4-9(15)6-10(16)5-8/h2-6H,1H3,(H,19,20)
InChIKeyQRUWTGMBUYJXFK-UHFFFAOYSA-N
XLogP6.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.95
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-3,5-dichloro-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 82811367
4-amino-N-(2,6-dichloro-3-methylphenyl)-3-methylbenzamide
CID 29273488
6-bromo-N-(2,6-dichloro-3-methylphenyl)pyridine-3-carboxamide
CID 66462872
N-(2,6-dichloro-3-methylphenyl)-4-fluorobenzamide
CID 60628486
4-bromo-N-(2,6-dichloro-3-methylphenyl)-2-sulfanylbenzamide
CID 107019931
2-amino-4-bromo-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 79714079
N-(2,6-dichloro-3-methylphenyl)-3-methyl-4-(methylamino)benzamide
CID 63209863
4-(chloromethyl)-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 43333397
3-amino-N-(2,6-dichloro-3-methylphenyl)-5-methoxybenzamide
CID 81093926
3-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-chlorobenzamide
CID 107999136
3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 104851725
5-bromo-N-(2,6-dichloro-3-methylphenyl)pentanamide
CID 107907179

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2,6-dichloro-3-methylphenyl)benzamide?
The IUPAC name of 3,5-dibromo-N-(2,6-dichloro-3-methylphenyl)benzamide (CID 107979976) is 3,5-dibromo-N-(2,6-dichloro-3-methylphenyl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(2,6-dichloro-3-methylphenyl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(2,6-dichloro-3-methylphenyl)benzamide is Cc1ccc(Cl)c(NC(=O)c2cc(Br)cc(Br)c2)c1Cl.
What is the InChIKey of 3,5-dibromo-N-(2,6-dichloro-3-methylphenyl)benzamide?
The InChIKey is QRUWTGMBUYJXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2Cl2NO/c1-7-2-3-11(17)13(12(7)18)19-14(20)8-4-9(15)6-10(16)5-8/h2-6H,1H3,(H,19,20).
What are the key properties of 3,5-dibromo-N-(2,6-dichloro-3-methylphenyl)benzamide?
3,5-dibromo-N-(2,6-dichloro-3-methylphenyl)benzamide has a molecular weight of 437.95 g/mol, XLogP of 6.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(2,6-dichloro-3-methylphenyl)benzamide is sourced from PubChem (CID 107979976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).