N-(2-bromo-4-methylphenyl)-3,5-dichlorobenzamide

C14H10BrCl2NO — CID 4271620

IUPACN-(2-bromo-4-methylphenyl)-3,5-dichlorobenzamide
SMILESCc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)c(Br)c1
InChIInChI=1S/C14H10BrCl2NO/c1-8-2-3-13(12(15)4-8)18-14(19)9-5-10(16)7-11(17)6-9/h2-7H,1H3,(H,18,19)
InChIKeyBKIJFLWYNUUVNJ-UHFFFAOYSA-N
MW359.05 g/mol
LogP5.32
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)-3,5-dichlorobenzamide

N-(2-bromo-4-methylphenyl)-3,5-dichlorobenzamide (PubChem CID 4271620) has the molecular formula C14H10BrCl2NO and a molecular weight of 359.05 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-3,5-dichlorobenzamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-3,5-dichlorobenzamide
PubChem CID4271620
Molecular FormulaC14H10BrCl2NO
Molecular Weight359.05 g/mol
Exact Mass356.93
IUPAC NameN-(2-bromo-4-methylphenyl)-3,5-dichlorobenzamide
SMILESCc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)c(Br)c1
InChIInChI=1S/C14H10BrCl2NO/c1-8-2-3-13(12(15)4-8)18-14(19)9-5-10(16)7-11(17)6-9/h2-7H,1H3,(H,18,19)
InChIKeyBKIJFLWYNUUVNJ-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

N-[(2-bromo-4-methylphenyl)carbamothioyl]-3,5-dichlorobenzamide
CID 54784823
N-(2-bromo-4-fluorophenyl)-3,5-dichlorobenzamide
CID 28938547
N-(2-bromophenyl)-3-chloro-5-methylbenzamide
CID 80948909
N-(2-bromo-4-methylphenyl)-5,6-dichloropyridine-3-carboxamide
CID 7929866
N-(3-bromo-2-methylphenyl)-3,5-dichlorobenzamide
CID 107640531
N-(2-bromo-4-methylphenyl)pyrimidine-5-carboxamide
CID 110862940
3-bromo-5-chloro-N-(2-fluoro-5-methylphenyl)benzamide
CID 107951534
N-(2-bromo-4-chlorophenyl)-3-fluoro-5-methylbenzamide
CID 112699952
N-(2-bromo-4-methylphenyl)-4-(hydroxymethyl)benzamide
CID 2089579
N-(2-bromo-4-methylphenyl)-4-ethylbenzamide
CID 2547142
N-(2-bromo-4-methylphenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide
CID 55600384
N-(2-bromo-4-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide
CID 62185754

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-3,5-dichlorobenzamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-3,5-dichlorobenzamide (CID 4271620) is N-(2-bromo-4-methylphenyl)-3,5-dichlorobenzamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-3,5-dichlorobenzamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-3,5-dichlorobenzamide is Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-3,5-dichlorobenzamide?
The InChIKey is BKIJFLWYNUUVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2NO/c1-8-2-3-13(12(15)4-8)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-(2-bromo-4-methylphenyl)-3,5-dichlorobenzamide?
N-(2-bromo-4-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-(2-bromo-4-methylphenyl)-3,5-dichlorobenzamide is sourced from PubChem (CID 4271620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).