2-bromo-N-(3,5-dichlorophenyl)-5-methylbenzamide

C14H10BrCl2NO — CID 81110211

IUPAC2-bromo-N-(3,5-dichlorophenyl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C14H10BrCl2NO/c1-8-2-3-13(15)12(4-8)14(19)18-11-6-9(16)5-10(17)7-11/h2-7H,1H3,(H,18,19)
InChIKeyQKFRUDAUTYFTTJ-UHFFFAOYSA-N
MW359.05 g/mol
LogP5.32
Rot. Bonds2

About 2-bromo-N-(3,5-dichlorophenyl)-5-methylbenzamide

2-bromo-N-(3,5-dichlorophenyl)-5-methylbenzamide (PubChem CID 81110211) has the molecular formula C14H10BrCl2NO and a molecular weight of 359.05 g/mol. Its IUPAC name is 2-bromo-N-(3,5-dichlorophenyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(3,5-dichlorophenyl)-5-methylbenzamide
PubChem CID81110211
Molecular FormulaC14H10BrCl2NO
Molecular Weight359.05 g/mol
Exact Mass356.93
IUPAC Name2-bromo-N-(3,5-dichlorophenyl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C14H10BrCl2NO/c1-8-2-3-13(15)12(4-8)14(19)18-11-6-9(16)5-10(17)7-11/h2-7H,1H3,(H,18,19)
InChIKeyQKFRUDAUTYFTTJ-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

2-bromo-N-(2-bromo-5-chlorophenyl)-5-methylbenzamide
CID 81270262
2-bromo-5-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 81110310
N-(3-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
CID 81110900
2-bromo-N-(4-iodophenyl)-5-methylbenzamide
CID 81109566
2-bromo-N-(4-chloro-2-fluorophenyl)-5-methylbenzamide
CID 80948575
N-(2-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
CID 81109928
2-bromo-N-[4-(hydroxymethyl)phenyl]-5-methylbenzamide
CID 81112261
2-bromo-4-chloro-N-(4-methylphenyl)benzamide
CID 103763138
2-bromo-5-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 81003356
4-[(2-bromo-5-methylbenzoyl)amino]-2-methylbenzoic acid
CID 81110247
2-bromo-N-(3-carbamoyl-4-fluorophenyl)-5-methylbenzamide
CID 80973481
2-bromo-N-(4-bromo-3-methylphenyl)-5-chlorobenzamide
CID 113221431

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3,5-dichlorophenyl)-5-methylbenzamide?
The IUPAC name of 2-bromo-N-(3,5-dichlorophenyl)-5-methylbenzamide (CID 81110211) is 2-bromo-N-(3,5-dichlorophenyl)-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(3,5-dichlorophenyl)-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-(3,5-dichlorophenyl)-5-methylbenzamide is Cc1ccc(Br)c(C(=O)Nc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 2-bromo-N-(3,5-dichlorophenyl)-5-methylbenzamide?
The InChIKey is QKFRUDAUTYFTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2NO/c1-8-2-3-13(15)12(4-8)14(19)18-11-6-9(16)5-10(17)7-11/h2-7H,1H3,(H,18,19).
What are the key properties of 2-bromo-N-(3,5-dichlorophenyl)-5-methylbenzamide?
2-bromo-N-(3,5-dichlorophenyl)-5-methylbenzamide 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 2-bromo-N-(3,5-dichlorophenyl)-5-methylbenzamide is sourced from PubChem (CID 81110211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).