3-bromo-4-ethoxy-5-methoxy-N-(2-phenoxyethyl)benzamide

C18H20BrNO4 — CID 26903200

IUPAC3-bromo-4-ethoxy-5-methoxy-N-(2-phenoxyethyl)benzamide
SMILESCCOc1c(Br)cc(C(=O)NCCOc2ccccc2)cc1OC
InChIInChI=1S/C18H20BrNO4/c1-3-23-17-15(19)11-13(12-16(17)22-2)18(21)20-9-10-24-14-7-5-4-6-8-14/h4-8,11-12H,3,9-10H2,1-2H3,(H,20,21)
InChIKeyMBEVZTIDBZHSAM-UHFFFAOYSA-N
MW394.27 g/mol
LogP3.67
Rot. Bonds8

About 3-bromo-4-ethoxy-5-methoxy-N-(2-phenoxyethyl)benzamide

3-bromo-4-ethoxy-5-methoxy-N-(2-phenoxyethyl)benzamide (PubChem CID 26903200) has the molecular formula C18H20BrNO4 and a molecular weight of 394.27 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-5-methoxy-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-5-methoxy-N-(2-phenoxyethyl)benzamide
PubChem CID26903200
Molecular FormulaC18H20BrNO4
Molecular Weight394.27 g/mol
Exact Mass393.06
IUPAC Name3-bromo-4-ethoxy-5-methoxy-N-(2-phenoxyethyl)benzamide
SMILESCCOc1c(Br)cc(C(=O)NCCOc2ccccc2)cc1OC
InChIInChI=1S/C18H20BrNO4/c1-3-23-17-15(19)11-13(12-16(17)22-2)18(21)20-9-10-24-14-7-5-4-6-8-14/h4-8,11-12H,3,9-10H2,1-2H3,(H,20,21)
InChIKeyMBEVZTIDBZHSAM-UHFFFAOYSA-N
XLogP3.67
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-ethoxy-N-[3-(2-fluorophenoxy)propyl]-5-methoxybenzamide
CID 39482983
N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide
CID 5008946
3-bromo-4-ethoxy-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 26181168
3-bromo-4-ethoxy-5-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119499914
3-bromo-4-ethoxy-N-(3-hydroxypropyl)-5-methoxybenzamide
CID 78796502
3-bromo-5-methoxy-N-(3-methoxypropyl)-4-phenylmethoxybenzamide
CID 4602601
N-(2-amino-2-phenylethyl)-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119527394
2-bromo-3,4,5-trimethoxy-N-(2-phenoxyethyl)benzamide
CID 2292777
3-bromo-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-5-methoxybenzamide
CID 7935341
N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methoxynaphthalene-2-carboxamide
CID 11164885
3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 41443073
3-bromo-4-ethoxy-5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 33133847

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N-(2-phenoxyethyl)benzamide (CID 26903200) is 3-bromo-4-ethoxy-5-methoxy-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-5-methoxy-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 3-bromo-4-ethoxy-5-methoxy-N-(2-phenoxyethyl)benzamide is CCOc1c(Br)cc(C(=O)NCCOc2ccccc2)cc1OC.
What is the InChIKey of 3-bromo-4-ethoxy-5-methoxy-N-(2-phenoxyethyl)benzamide?
The InChIKey is MBEVZTIDBZHSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO4/c1-3-23-17-15(19)11-13(12-16(17)22-2)18(21)20-9-10-24-14-7-5-4-6-8-14/h4-8,11-12H,3,9-10H2,1-2H3,(H,20,21).
What are the key properties of 3-bromo-4-ethoxy-5-methoxy-N-(2-phenoxyethyl)benzamide?
3-bromo-4-ethoxy-5-methoxy-N-(2-phenoxyethyl)benzamide has a molecular weight of 394.27 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-5-methoxy-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 26903200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).