N-(3-bromo-2-methylphenyl)-3,5-dichlorobenzamide

C14H10BrCl2NO — CID 107640531

IUPACN-(3-bromo-2-methylphenyl)-3,5-dichlorobenzamide
SMILESCc1c(Br)cccc1NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H10BrCl2NO/c1-8-12(15)3-2-4-13(8)18-14(19)9-5-10(16)7-11(17)6-9/h2-7H,1H3,(H,18,19)
InChIKeyQMOWHCUCLJEUIZ-UHFFFAOYSA-N
MW359.05 g/mol
LogP5.32
Rot. Bonds2

About N-(3-bromo-2-methylphenyl)-3,5-dichlorobenzamide

N-(3-bromo-2-methylphenyl)-3,5-dichlorobenzamide (PubChem CID 107640531) has the molecular formula C14H10BrCl2NO and a molecular weight of 359.05 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)-3,5-dichlorobenzamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)-3,5-dichlorobenzamide
PubChem CID107640531
Molecular FormulaC14H10BrCl2NO
Molecular Weight359.05 g/mol
Exact Mass356.93
IUPAC NameN-(3-bromo-2-methylphenyl)-3,5-dichlorobenzamide
SMILESCc1c(Br)cccc1NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H10BrCl2NO/c1-8-12(15)3-2-4-13(8)18-14(19)9-5-10(16)7-11(17)6-9/h2-7H,1H3,(H,18,19)
InChIKeyQMOWHCUCLJEUIZ-UHFFFAOYSA-N
XLogP5.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.05
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dichloro-N-(3-hydroxy-2-methylphenyl)benzamide
CID 64793609
N-(2-bromophenyl)-3-chloro-5-methylbenzamide
CID 80948909
4-amino-N-(3-bromo-2-methylphenyl)-3-chlorobenzamide
CID 107623927
N-(3-bromo-2-methylphenyl)-3,5-difluoro-4-(methylamino)benzamide
CID 107631048
N-(2-bromo-4-methylphenyl)-3,5-dichlorobenzamide
CID 4271620
N-(2-bromo-3-chlorophenyl)-3-chloro-5-methylbenzamide
CID 103479767
3-bromo-N-(3-bromo-2-methylphenyl)-5-nitrobenzamide
CID 107640528
2-chloro-6-[(3,5-dichlorobenzoyl)amino]benzoic acid
CID 63724110
N-(3-bromo-2-methylphenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 107637308
N-(3-bromo-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 113230237
3-amino-N-(3-bromo-2-methylphenyl)-2-chlorobenzamide
CID 107623979
3-bromo-4-chloro-N-(2,3-dimethylphenyl)benzamide
CID 107999224

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)-3,5-dichlorobenzamide?
The IUPAC name of N-(3-bromo-2-methylphenyl)-3,5-dichlorobenzamide (CID 107640531) is N-(3-bromo-2-methylphenyl)-3,5-dichlorobenzamide.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)-3,5-dichlorobenzamide?
The canonical SMILES for N-(3-bromo-2-methylphenyl)-3,5-dichlorobenzamide is Cc1c(Br)cccc1NC(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3-bromo-2-methylphenyl)-3,5-dichlorobenzamide?
The InChIKey is QMOWHCUCLJEUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2NO/c1-8-12(15)3-2-4-13(8)18-14(19)9-5-10(16)7-11(17)6-9/h2-7H,1H3,(H,18,19).
What are the key properties of N-(3-bromo-2-methylphenyl)-3,5-dichlorobenzamide?
N-(3-bromo-2-methylphenyl)-3,5-dichlorobenzamide has a molecular weight of 359.05 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylphenyl)-3,5-dichlorobenzamide is sourced from PubChem (CID 107640531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).