N-(3,5-dibromo-4-pyridinyl)-3-(2-ethoxyethoxy)-4-methoxybenzamide

C17H18Br2N2O4 — CID 23204698

IUPACN-(3,5-dibromo-4-pyridinyl)-3-(2-ethoxyethoxy)-4-methoxybenzamide
SMILESCCOCCOc1cc(C(=O)Nc2c(Br)cncc2Br)ccc1OC
InChIInChI=1S/C17H18Br2N2O4/c1-3-24-6-7-25-15-8-11(4-5-14(15)23-2)17(22)21-16-12(18)9-20-10-13(16)19/h4-5,8-10H,3,6-7H2,1-2H3,(H,20,21,22)
InChIKeyDXDGARFKMSITGH-UHFFFAOYSA-N
MW474.15 g/mol
LogP4.28
Rot. Bonds8

About N-(3,5-dibromo-4-pyridinyl)-3-(2-ethoxyethoxy)-4-methoxybenzamide

N-(3,5-dibromo-4-pyridinyl)-3-(2-ethoxyethoxy)-4-methoxybenzamide (PubChem CID 23204698) has the molecular formula C17H18Br2N2O4 and a molecular weight of 474.15 g/mol. Its IUPAC name is N-(3,5-dibromo-4-pyridinyl)-3-(2-ethoxyethoxy)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3,5-dibromo-4-pyridinyl)-3-(2-ethoxyethoxy)-4-methoxybenzamide
PubChem CID23204698
Molecular FormulaC17H18Br2N2O4
Molecular Weight474.15 g/mol
Exact Mass471.96
IUPAC NameN-(3,5-dibromo-4-pyridinyl)-3-(2-ethoxyethoxy)-4-methoxybenzamide
SMILESCCOCCOc1cc(C(=O)Nc2c(Br)cncc2Br)ccc1OC
InChIInChI=1S/C17H18Br2N2O4/c1-3-24-6-7-25-15-8-11(4-5-14(15)23-2)17(22)21-16-12(18)9-20-10-13(16)19/h4-5,8-10H,3,6-7H2,1-2H3,(H,20,21,22)
InChIKeyDXDGARFKMSITGH-UHFFFAOYSA-N
XLogP4.28
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.15
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[2-(2-ethoxyethoxy)phenyl]-4-methoxybenzamide
CID 17134058
3-bromo-N'-(3-ethoxypropanoyl)-4-(2-methoxyethoxy)benzohydrazide
CID 17357979
methyl 4-methoxy-3-(2-methoxyethoxy)benzoate
CID 66876699
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
3-bromo-N-[2-(2-ethoxyethoxy)phenyl]benzamide
CID 54790974
N-[3-[(3-ethoxy-4-methoxybenzoyl)amino]phenyl]pyridine-4-carboxamide
CID 39676955
N-(2,5-dimethoxyphenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139561
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
2,6-dichloro-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyridine-4-carboxamide
CID 86930838
methyl 4-bromo-3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoate
CID 170966297
3-bromo-4-(2-methoxyethoxy)-N-methylbenzamide
CID 15943150
2-N,4-N,6-N-tris[3-(2-ethoxyethoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4,6-triamine
CID 23527673

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromo-4-pyridinyl)-3-(2-ethoxyethoxy)-4-methoxybenzamide?
The IUPAC name of N-(3,5-dibromo-4-pyridinyl)-3-(2-ethoxyethoxy)-4-methoxybenzamide (CID 23204698) is N-(3,5-dibromo-4-pyridinyl)-3-(2-ethoxyethoxy)-4-methoxybenzamide.
What is the SMILES notation for N-(3,5-dibromo-4-pyridinyl)-3-(2-ethoxyethoxy)-4-methoxybenzamide?
The canonical SMILES for N-(3,5-dibromo-4-pyridinyl)-3-(2-ethoxyethoxy)-4-methoxybenzamide is CCOCCOc1cc(C(=O)Nc2c(Br)cncc2Br)ccc1OC.
What is the InChIKey of N-(3,5-dibromo-4-pyridinyl)-3-(2-ethoxyethoxy)-4-methoxybenzamide?
The InChIKey is DXDGARFKMSITGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2N2O4/c1-3-24-6-7-25-15-8-11(4-5-14(15)23-2)17(22)21-16-12(18)9-20-10-13(16)19/h4-5,8-10H,3,6-7H2,1-2H3,(H,20,21,22).
What are the key properties of N-(3,5-dibromo-4-pyridinyl)-3-(2-ethoxyethoxy)-4-methoxybenzamide?
N-(3,5-dibromo-4-pyridinyl)-3-(2-ethoxyethoxy)-4-methoxybenzamide has a molecular weight of 474.15 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromo-4-pyridinyl)-3-(2-ethoxyethoxy)-4-methoxybenzamide is sourced from PubChem (CID 23204698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).