2-bromo-N-(2-ethoxyethyl)-5-methoxy-N-methylbenzamide

C13H18BrNO3 — CID 81056379

IUPAC2-bromo-N-(2-ethoxyethyl)-5-methoxy-N-methylbenzamide
SMILESCCOCCN(C)C(=O)c1cc(OC)ccc1Br
InChIInChI=1S/C13H18BrNO3/c1-4-18-8-7-15(2)13(16)11-9-10(17-3)5-6-12(11)14/h5-6,9H,4,7-8H2,1-3H3
InChIKeyHKSDSWMFTQEFBP-UHFFFAOYSA-N
MW316.19 g/mol
LogP2.57
Rot. Bonds6

About 2-bromo-N-(2-ethoxyethyl)-5-methoxy-N-methylbenzamide

2-bromo-N-(2-ethoxyethyl)-5-methoxy-N-methylbenzamide (PubChem CID 81056379) has the molecular formula C13H18BrNO3 and a molecular weight of 316.19 g/mol. Its IUPAC name is 2-bromo-N-(2-ethoxyethyl)-5-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-ethoxyethyl)-5-methoxy-N-methylbenzamide
PubChem CID81056379
Molecular FormulaC13H18BrNO3
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name2-bromo-N-(2-ethoxyethyl)-5-methoxy-N-methylbenzamide
SMILESCCOCCN(C)C(=O)c1cc(OC)ccc1Br
InChIInChI=1S/C13H18BrNO3/c1-4-18-8-7-15(2)13(16)11-9-10(17-3)5-6-12(11)14/h5-6,9H,4,7-8H2,1-3H3
InChIKeyHKSDSWMFTQEFBP-UHFFFAOYSA-N
XLogP2.57
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 81055541
2-bromo-5-methoxy-N-methyl-N-(3-methylsulfanylpropyl)benzamide
CID 114217626
4-bromo-N-(2-ethoxyethyl)-2-methoxy-N-methylbenzamide
CID 113296075
2-bromo-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-N-methylbenzamide
CID 61026430
2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzamide
CID 81055309
2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 60745117
2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxy-N-methylbenzamide
CID 39952387
3,5-dibromo-N-(2-ethoxyethyl)-N-methylbenzamide
CID 103909435
ethyl 2-bromo-5-methoxybenzoate
CID 43389585
2-bromo-N-(3-chloropropyl)-N-ethyl-5-methoxybenzamide
CID 113469141
2-bromo-5-methoxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 79715879
5-bromo-N-(2-ethoxyethyl)-N-methylthiophene-2-carboxamide
CID 81055207

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-ethoxyethyl)-5-methoxy-N-methylbenzamide?
The IUPAC name of 2-bromo-N-(2-ethoxyethyl)-5-methoxy-N-methylbenzamide (CID 81056379) is 2-bromo-N-(2-ethoxyethyl)-5-methoxy-N-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(2-ethoxyethyl)-5-methoxy-N-methylbenzamide?
The canonical SMILES for 2-bromo-N-(2-ethoxyethyl)-5-methoxy-N-methylbenzamide is CCOCCN(C)C(=O)c1cc(OC)ccc1Br.
What is the InChIKey of 2-bromo-N-(2-ethoxyethyl)-5-methoxy-N-methylbenzamide?
The InChIKey is HKSDSWMFTQEFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3/c1-4-18-8-7-15(2)13(16)11-9-10(17-3)5-6-12(11)14/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of 2-bromo-N-(2-ethoxyethyl)-5-methoxy-N-methylbenzamide?
2-bromo-N-(2-ethoxyethyl)-5-methoxy-N-methylbenzamide has a molecular weight of 316.19 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-ethoxyethyl)-5-methoxy-N-methylbenzamide is sourced from PubChem (CID 81056379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).