3-bromo-4-ethoxy-N-[3-(2-fluorophenoxy)propyl]-5-methoxybenzamide

C19H21BrFNO4 — CID 39482983

IUPAC3-bromo-4-ethoxy-N-[3-(2-fluorophenoxy)propyl]-5-methoxybenzamide
SMILESCCOc1c(Br)cc(C(=O)NCCCOc2ccccc2F)cc1OC
InChIInChI=1S/C19H21BrFNO4/c1-3-25-18-14(20)11-13(12-17(18)24-2)19(23)22-9-6-10-26-16-8-5-4-7-15(16)21/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3,(H,22,23)
InChIKeyKOKHIDXHZFVZAV-UHFFFAOYSA-N
MW426.28 g/mol
LogP4.19
Rot. Bonds9

About 3-bromo-4-ethoxy-N-[3-(2-fluorophenoxy)propyl]-5-methoxybenzamide

3-bromo-4-ethoxy-N-[3-(2-fluorophenoxy)propyl]-5-methoxybenzamide (PubChem CID 39482983) has the molecular formula C19H21BrFNO4 and a molecular weight of 426.28 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-N-[3-(2-fluorophenoxy)propyl]-5-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-N-[3-(2-fluorophenoxy)propyl]-5-methoxybenzamide
PubChem CID39482983
Molecular FormulaC19H21BrFNO4
Molecular Weight426.28 g/mol
Exact Mass425.06
IUPAC Name3-bromo-4-ethoxy-N-[3-(2-fluorophenoxy)propyl]-5-methoxybenzamide
SMILESCCOc1c(Br)cc(C(=O)NCCCOc2ccccc2F)cc1OC
InChIInChI=1S/C19H21BrFNO4/c1-3-25-18-14(20)11-13(12-17(18)24-2)19(23)22-9-6-10-26-16-8-5-4-7-15(16)21/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3,(H,22,23)
InChIKeyKOKHIDXHZFVZAV-UHFFFAOYSA-N
XLogP4.19
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.28
LogP ≤ 54.19
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-5-methoxy-N-(2-phenoxyethyl)benzamide
CID 26903200
3-bromo-4-ethoxy-N-(3-hydroxypropyl)-5-methoxybenzamide
CID 78796502
3-bromo-4-ethoxy-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 26181168
3-bromo-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-5-methoxybenzamide
CID 7935341
3-bromo-5-methoxy-N-(3-methoxypropyl)-4-phenylmethoxybenzamide
CID 4602601
3-bromo-4-ethoxy-5-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119499914
N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide
CID 5008946
3-bromo-N-butyl-5-methoxy-4-propoxybenzamide
CID 18106222
3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
CID 8869293
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
3-bromo-4-ethoxy-5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 33133847
3-bromo-4-ethoxy-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 26732731

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-N-[3-(2-fluorophenoxy)propyl]-5-methoxybenzamide?
The IUPAC name of 3-bromo-4-ethoxy-N-[3-(2-fluorophenoxy)propyl]-5-methoxybenzamide (CID 39482983) is 3-bromo-4-ethoxy-N-[3-(2-fluorophenoxy)propyl]-5-methoxybenzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-N-[3-(2-fluorophenoxy)propyl]-5-methoxybenzamide?
The canonical SMILES for 3-bromo-4-ethoxy-N-[3-(2-fluorophenoxy)propyl]-5-methoxybenzamide is CCOc1c(Br)cc(C(=O)NCCCOc2ccccc2F)cc1OC.
What is the InChIKey of 3-bromo-4-ethoxy-N-[3-(2-fluorophenoxy)propyl]-5-methoxybenzamide?
The InChIKey is KOKHIDXHZFVZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrFNO4/c1-3-25-18-14(20)11-13(12-17(18)24-2)19(23)22-9-6-10-26-16-8-5-4-7-15(16)21/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3,(H,22,23).
What are the key properties of 3-bromo-4-ethoxy-N-[3-(2-fluorophenoxy)propyl]-5-methoxybenzamide?
3-bromo-4-ethoxy-N-[3-(2-fluorophenoxy)propyl]-5-methoxybenzamide has a molecular weight of 426.28 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-N-[3-(2-fluorophenoxy)propyl]-5-methoxybenzamide is sourced from PubChem (CID 39482983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).