3,5-dibromo-2-methoxybenzamide

C8H7Br2NO2 — CID 28665425

IUPAC3,5-dibromo-2-methoxybenzamide
SMILESCOc1c(Br)cc(Br)cc1C(N)=O
InChIInChI=1S/C8H7Br2NO2/c1-13-7-5(8(11)12)2-4(9)3-6(7)10/h2-3H,1H3,(H2,11,12)
InChIKeyQXBSMIREDHYMFV-UHFFFAOYSA-N
MW308.96 g/mol
LogP2.32
Rot. Bonds2

About 3,5-dibromo-2-methoxybenzamide

3,5-dibromo-2-methoxybenzamide (PubChem CID 28665425) has the molecular formula C8H7Br2NO2 and a molecular weight of 308.96 g/mol. Its IUPAC name is 3,5-dibromo-2-methoxybenzamide.

Molecular Properties

Compound Name3,5-dibromo-2-methoxybenzamide
PubChem CID28665425
Molecular FormulaC8H7Br2NO2
Molecular Weight308.96 g/mol
Exact Mass306.88
IUPAC Name3,5-dibromo-2-methoxybenzamide
SMILESCOc1c(Br)cc(Br)cc1C(N)=O
InChIInChI=1S/C8H7Br2NO2/c1-13-7-5(8(11)12)2-4(9)3-6(7)10/h2-3H,1H3,(H2,11,12)
InChIKeyQXBSMIREDHYMFV-UHFFFAOYSA-N
XLogP2.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.96
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-2-methoxybenzoic acid
CID 643392
3,5-dibromo-2-ethoxybenzamide
CID 50880217
3,5-dibromo-2-methoxy-N,N-dimethylbenzamide
CID 50850191
3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide
CID 5142163
4-(3,5-dibromo-2-methoxyphenyl)-4-oxobutanal
CID 14431137
N-(2-aminophenyl)-3,5-dibromo-2-methoxybenzamide
CID 91687679
3-bromo-N,2,5-trimethoxybenzamide
CID 60713137
3-bromo-4,5-dimethoxybenzamide
CID 900808
3,5-dibromo-2-methoxy-N-(2-methoxyphenyl)benzamide
CID 3948715
3,5-dibromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
CID 3452845
2-[(3,5-dibromo-2-methoxybenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 17314595
3-bromo-5-fluoro-N,2-dimethoxybenzamide
CID 164892762

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-methoxybenzamide?
The IUPAC name of 3,5-dibromo-2-methoxybenzamide (CID 28665425) is 3,5-dibromo-2-methoxybenzamide.
What is the SMILES notation for 3,5-dibromo-2-methoxybenzamide?
The canonical SMILES for 3,5-dibromo-2-methoxybenzamide is COc1c(Br)cc(Br)cc1C(N)=O.
What is the InChIKey of 3,5-dibromo-2-methoxybenzamide?
The InChIKey is QXBSMIREDHYMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2NO2/c1-13-7-5(8(11)12)2-4(9)3-6(7)10/h2-3H,1H3,(H2,11,12).
What are the key properties of 3,5-dibromo-2-methoxybenzamide?
3,5-dibromo-2-methoxybenzamide has a molecular weight of 308.96 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-methoxybenzamide is sourced from PubChem (CID 28665425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).