3,5-dibromo-2-ethoxybenzamide

C9H9Br2NO2 — CID 50880217

IUPAC3,5-dibromo-2-ethoxybenzamide
SMILESCCOc1c(Br)cc(Br)cc1C(N)=O
InChIInChI=1S/C9H9Br2NO2/c1-2-14-8-6(9(12)13)3-5(10)4-7(8)11/h3-4H,2H2,1H3,(H2,12,13)
InChIKeyHADVNFAJKVLFSP-UHFFFAOYSA-N
MW322.98 g/mol
LogP2.71
Rot. Bonds3

About 3,5-dibromo-2-ethoxybenzamide

3,5-dibromo-2-ethoxybenzamide (PubChem CID 50880217) has the molecular formula C9H9Br2NO2 and a molecular weight of 322.98 g/mol. Its IUPAC name is 3,5-dibromo-2-ethoxybenzamide.

Molecular Properties

Compound Name3,5-dibromo-2-ethoxybenzamide
PubChem CID50880217
Molecular FormulaC9H9Br2NO2
Molecular Weight322.98 g/mol
Exact Mass320.90
IUPAC Name3,5-dibromo-2-ethoxybenzamide
SMILESCCOc1c(Br)cc(Br)cc1C(N)=O
InChIInChI=1S/C9H9Br2NO2/c1-2-14-8-6(9(12)13)3-5(10)4-7(8)11/h3-4H,2H2,1H3,(H2,12,13)
InChIKeyHADVNFAJKVLFSP-UHFFFAOYSA-N
XLogP2.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.98
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-2-methoxybenzamide
CID 28665425
3-[(3,5-dibromo-2-ethoxyphenyl)methylamino]-2-hydroxypropanamide
CID 106171817
3,5-dibromo-2-propoxybenzoic acid
CID 8707159
2-ethoxy-3,5-diiodobenzamide
CID 132591548
ethyl 3-bromo-5-chloro-2-ethoxybenzoate
CID 50880228
ethyl 2,3,5-tribromobenzoate
CID 112694304
2-[(3,5-dibromo-2-ethoxyphenyl)methylamino]propanoic acid
CID 54959237
ethyl 3,5-dibromo-2-(difluoromethoxy)benzoate
CID 134632750
1-(3,5-dibromo-2-ethoxyphenyl)-N-methylmethanamine
CID 4717481
diethyl 3,5-dibromobenzene-1,2-dicarboxylate
CID 139811983
4-bromo-2-ethoxy-3-phenylbenzamide
CID 71304584
methyl 3-bromo-5-(bromomethyl)-2-ethoxybenzoate
CID 146456843

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-ethoxybenzamide?
The IUPAC name of 3,5-dibromo-2-ethoxybenzamide (CID 50880217) is 3,5-dibromo-2-ethoxybenzamide.
What is the SMILES notation for 3,5-dibromo-2-ethoxybenzamide?
The canonical SMILES for 3,5-dibromo-2-ethoxybenzamide is CCOc1c(Br)cc(Br)cc1C(N)=O.
What is the InChIKey of 3,5-dibromo-2-ethoxybenzamide?
The InChIKey is HADVNFAJKVLFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2NO2/c1-2-14-8-6(9(12)13)3-5(10)4-7(8)11/h3-4H,2H2,1H3,(H2,12,13).
What are the key properties of 3,5-dibromo-2-ethoxybenzamide?
3,5-dibromo-2-ethoxybenzamide has a molecular weight of 322.98 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-ethoxybenzamide is sourced from PubChem (CID 50880217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).