N-(3-bromo-4-methoxybutyl)-2-ethoxybenzamide

C14H20BrNO3 — CID 106245092

IUPACN-(3-bromo-4-methoxybutyl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCC(Br)COC
InChIInChI=1S/C14H20BrNO3/c1-3-19-13-7-5-4-6-12(13)14(17)16-9-8-11(15)10-18-2/h4-7,11H,3,8-10H2,1-2H3,(H,16,17)
InChIKeyVVRYCQATRJSFDN-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.62
Rot. Bonds8

About N-(3-bromo-4-methoxybutyl)-2-ethoxybenzamide

N-(3-bromo-4-methoxybutyl)-2-ethoxybenzamide (PubChem CID 106245092) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is N-(3-bromo-4-methoxybutyl)-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxybutyl)-2-ethoxybenzamide
PubChem CID106245092
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC NameN-(3-bromo-4-methoxybutyl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCC(Br)COC
InChIInChI=1S/C14H20BrNO3/c1-3-19-13-7-5-4-6-12(13)14(17)16-9-8-11(15)10-18-2/h4-7,11H,3,8-10H2,1-2H3,(H,16,17)
InChIKeyVVRYCQATRJSFDN-UHFFFAOYSA-N
XLogP2.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 103876954
N-(3-aminobutyl)-2-ethoxybenzamide
CID 63253543
N-(3-bromo-4-methoxybutyl)-2-hydroxy-3-methylbenzamide
CID 106245322
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
2-ethoxy-N-[3-(2-methylpropoxy)propyl]benzamide
CID 134042472
N-(3-bromo-4-methoxybutyl)-2,6-difluorobenzamide
CID 106244803
2-ethoxy-N-[2-(4-ethoxyphenoxy)ethyl]benzamide
CID 27853054
N-(3-bromo-4-methoxybutyl)quinoxaline-5-carboxamide
CID 106245167
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917
N-(3-bromo-4-methoxybutyl)-5-fluoro-2-methylbenzamide
CID 106244956
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
2-ethoxy-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508383

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxybutyl)-2-ethoxybenzamide?
The IUPAC name of N-(3-bromo-4-methoxybutyl)-2-ethoxybenzamide (CID 106245092) is N-(3-bromo-4-methoxybutyl)-2-ethoxybenzamide.
What is the SMILES notation for N-(3-bromo-4-methoxybutyl)-2-ethoxybenzamide?
The canonical SMILES for N-(3-bromo-4-methoxybutyl)-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCCC(Br)COC.
What is the InChIKey of N-(3-bromo-4-methoxybutyl)-2-ethoxybenzamide?
The InChIKey is VVRYCQATRJSFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-3-19-13-7-5-4-6-12(13)14(17)16-9-8-11(15)10-18-2/h4-7,11H,3,8-10H2,1-2H3,(H,16,17).
What are the key properties of N-(3-bromo-4-methoxybutyl)-2-ethoxybenzamide?
N-(3-bromo-4-methoxybutyl)-2-ethoxybenzamide has a molecular weight of 330.22 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxybutyl)-2-ethoxybenzamide is sourced from PubChem (CID 106245092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).