2-bromo-N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylbenzamide

C15H11BrClNO3 — CID 80973088

IUPAC2-bromo-N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2cc3c(cc2Cl)OCO3)c1
InChIInChI=1S/C15H11BrClNO3/c1-8-2-3-10(16)9(4-8)15(19)18-12-6-14-13(5-11(12)17)20-7-21-14/h2-6H,7H2,1H3,(H,18,19)
InChIKeyFBASHPUCVLMYOY-UHFFFAOYSA-N
MW368.61 g/mol
LogP4.39
Rot. Bonds2

About 2-bromo-N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylbenzamide

2-bromo-N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylbenzamide (PubChem CID 80973088) has the molecular formula C15H11BrClNO3 and a molecular weight of 368.61 g/mol. Its IUPAC name is 2-bromo-N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylbenzamide
PubChem CID80973088
Molecular FormulaC15H11BrClNO3
Molecular Weight368.61 g/mol
Exact Mass366.96
IUPAC Name2-bromo-N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2cc3c(cc2Cl)OCO3)c1
InChIInChI=1S/C15H11BrClNO3/c1-8-2-3-10(16)9(4-8)15(19)18-12-6-14-13(5-11(12)17)20-7-21-14/h2-6H,7H2,1H3,(H,18,19)
InChIKeyFBASHPUCVLMYOY-UHFFFAOYSA-N
XLogP4.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.61
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2-bromo-5-chlorophenyl)-5-methylbenzamide
CID 81270262
N-(2-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
CID 81109928
2-bromo-N-(2-chloro-4-nitrophenyl)-5-methylbenzamide
CID 81003282
(2-bromo-5-methylphenyl)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone
CID 81109944
2-bromo-N-(4-chloro-2-fluorophenyl)-5-methylbenzamide
CID 80948575
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2,6-dimethylquinoline-3-carboxamide
CID 39821091
N-(6-chloro-1,3-benzodioxol-5-yl)-4-iodobenzamide
CID 39728188
2-bromo-N-[2-(chloromethyl)phenyl]-5-methylbenzamide
CID 114298590
N-(3-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
CID 81110900
N-(6-amino-1,3-benzodioxol-5-yl)-2-bromobenzamide
CID 43548363
N-(6-chloro-1,3-benzodioxol-5-yl)-6-methylpyridine-3-carboxamide
CID 18158591
2-bromo-N-(3,5-dichlorophenyl)-5-methylbenzamide
CID 81110211

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylbenzamide?
The IUPAC name of 2-bromo-N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylbenzamide (CID 80973088) is 2-bromo-N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylbenzamide is Cc1ccc(Br)c(C(=O)Nc2cc3c(cc2Cl)OCO3)c1.
What is the InChIKey of 2-bromo-N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylbenzamide?
The InChIKey is FBASHPUCVLMYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO3/c1-8-2-3-10(16)9(4-8)15(19)18-12-6-14-13(5-11(12)17)20-7-21-14/h2-6H,7H2,1H3,(H,18,19).
What are the key properties of 2-bromo-N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylbenzamide?
2-bromo-N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylbenzamide has a molecular weight of 368.61 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylbenzamide is sourced from PubChem (CID 80973088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).