3-bromo-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-5-methoxybenzamide

C18H19BrFNO3 — CID 7935341

IUPAC3-bromo-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-5-methoxybenzamide
SMILESCCOc1c(Br)cc(C(=O)NCCc2ccc(F)cc2)cc1OC
InChIInChI=1S/C18H19BrFNO3/c1-3-24-17-15(19)10-13(11-16(17)23-2)18(22)21-9-8-12-4-6-14(20)7-5-12/h4-7,10-11H,3,8-9H2,1-2H3,(H,21,22)
InChIKeyXIUCLMILJDDDKZ-UHFFFAOYSA-N
MW396.26 g/mol
LogP3.97
Rot. Bonds7

About 3-bromo-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-5-methoxybenzamide

3-bromo-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-5-methoxybenzamide (PubChem CID 7935341) has the molecular formula C18H19BrFNO3 and a molecular weight of 396.26 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-5-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-5-methoxybenzamide
PubChem CID7935341
Molecular FormulaC18H19BrFNO3
Molecular Weight396.26 g/mol
Exact Mass395.05
IUPAC Name3-bromo-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-5-methoxybenzamide
SMILESCCOc1c(Br)cc(C(=O)NCCc2ccc(F)cc2)cc1OC
InChIInChI=1S/C18H19BrFNO3/c1-3-24-17-15(19)10-13(11-16(17)23-2)18(22)21-9-8-12-4-6-14(20)7-5-12/h4-7,10-11H,3,8-9H2,1-2H3,(H,21,22)
InChIKeyXIUCLMILJDDDKZ-UHFFFAOYSA-N
XLogP3.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.26
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-ethoxy-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 26732731
3-bromo-4-ethoxy-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 26181168
4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide
CID 9391807
3-bromo-4-ethoxy-N-[3-(2-fluorophenoxy)propyl]-5-methoxybenzamide
CID 39482983
3-bromo-N-[(4-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
CID 7935461
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-4-ethoxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916758
3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide
CID 86926604
N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide
CID 5008946
3-bromo-4-ethoxy-5-methoxy-N-(2-phenoxyethyl)benzamide
CID 26903200
3-bromo-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-ethoxy-5-methoxybenzamide
CID 31449455

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-5-methoxybenzamide?
The IUPAC name of 3-bromo-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-5-methoxybenzamide (CID 7935341) is 3-bromo-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-5-methoxybenzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-5-methoxybenzamide?
The canonical SMILES for 3-bromo-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-5-methoxybenzamide is CCOc1c(Br)cc(C(=O)NCCc2ccc(F)cc2)cc1OC.
What is the InChIKey of 3-bromo-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-5-methoxybenzamide?
The InChIKey is XIUCLMILJDDDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFNO3/c1-3-24-17-15(19)10-13(11-16(17)23-2)18(22)21-9-8-12-4-6-14(20)7-5-12/h4-7,10-11H,3,8-9H2,1-2H3,(H,21,22).
What are the key properties of 3-bromo-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-5-methoxybenzamide?
3-bromo-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-5-methoxybenzamide has a molecular weight of 396.26 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-5-methoxybenzamide is sourced from PubChem (CID 7935341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).