3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-5-chlorobenzamide

C14H9Br2Cl2NO2 — CID 107951917

IUPAC3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-5-chlorobenzamide
SMILESCOc1c(Br)cc(Cl)cc1NC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H9Br2Cl2NO2/c1-21-13-11(16)5-10(18)6-12(13)19-14(20)7-2-8(15)4-9(17)3-7/h2-6H,1H3,(H,19,20)
InChIKeyJKWUKYYOZXJGRY-UHFFFAOYSA-N
MW453.95 g/mol
LogP5.78
Rot. Bonds3

About 3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-5-chlorobenzamide

3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-5-chlorobenzamide (PubChem CID 107951917) has the molecular formula C14H9Br2Cl2NO2 and a molecular weight of 453.95 g/mol. Its IUPAC name is 3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-5-chlorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-5-chlorobenzamide
PubChem CID107951917
Molecular FormulaC14H9Br2Cl2NO2
Molecular Weight453.95 g/mol
Exact Mass450.84
IUPAC Name3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-5-chlorobenzamide
SMILESCOc1c(Br)cc(Cl)cc1NC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H9Br2Cl2NO2/c1-21-13-11(16)5-10(18)6-12(13)19-14(20)7-2-8(15)4-9(17)3-7/h2-6H,1H3,(H,19,20)
InChIKeyJKWUKYYOZXJGRY-UHFFFAOYSA-N
XLogP5.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.95
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 35206912
4-amino-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-fluorobenzamide
CID 63187979
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,5-dimethoxybenzamide
CID 16613969
N-(3-bromo-5-chloro-2-methoxyphenyl)-2-(methylamino)acetamide
CID 43704379
3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)pyridine-2-carboxamide
CID 107518279
2-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylbenzamide
CID 103853019
3-bromo-5-chloro-N-(2,4,6-tribromophenyl)benzamide
CID 107951551
N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-fluorobenzamide
CID 26159493
3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide
CID 107939178
(2S)-2-amino-N-(3-bromo-5-chloro-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 61180758
N-(3-bromo-5-chloro-2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604492
3-bromo-5-chloro-N-(2-fluoro-5-methylphenyl)benzamide
CID 107951534

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-5-chlorobenzamide?
The IUPAC name of 3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-5-chlorobenzamide (CID 107951917) is 3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-5-chlorobenzamide.
What is the SMILES notation for 3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-5-chlorobenzamide?
The canonical SMILES for 3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-5-chlorobenzamide is COc1c(Br)cc(Cl)cc1NC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-5-chlorobenzamide?
The InChIKey is JKWUKYYOZXJGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2Cl2NO2/c1-21-13-11(16)5-10(18)6-12(13)19-14(20)7-2-8(15)4-9(17)3-7/h2-6H,1H3,(H,19,20).
What are the key properties of 3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-5-chlorobenzamide?
3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-5-chlorobenzamide has a molecular weight of 453.95 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-5-chlorobenzamide is sourced from PubChem (CID 107951917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).