3-bromo-4-ethoxy-N-(4-propoxyphenyl)benzamide

C18H20BrNO3 — CID 17073835

IUPAC3-bromo-4-ethoxy-N-(4-propoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2ccc(OCC)c(Br)c2)cc1
InChIInChI=1S/C18H20BrNO3/c1-3-11-23-15-8-6-14(7-9-15)20-18(21)13-5-10-17(22-4-2)16(19)12-13/h5-10,12H,3-4,11H2,1-2H3,(H,20,21)
InChIKeyFXHFYRBVBJIAJF-UHFFFAOYSA-N
MW378.27 g/mol
LogP4.89
Rot. Bonds7

About 3-bromo-4-ethoxy-N-(4-propoxyphenyl)benzamide

3-bromo-4-ethoxy-N-(4-propoxyphenyl)benzamide (PubChem CID 17073835) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-N-(4-propoxyphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-N-(4-propoxyphenyl)benzamide
PubChem CID17073835
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC Name3-bromo-4-ethoxy-N-(4-propoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2ccc(OCC)c(Br)c2)cc1
InChIInChI=1S/C18H20BrNO3/c1-3-11-23-15-8-6-14(7-9-15)20-18(21)13-5-10-17(22-4-2)16(19)12-13/h5-10,12H,3-4,11H2,1-2H3,(H,20,21)
InChIKeyFXHFYRBVBJIAJF-UHFFFAOYSA-N
XLogP4.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(4-heptoxyphenyl)-4-hexoxybenzamide
CID 4959571
3-bromo-N-(4-bromophenyl)-4-propoxybenzamide
CID 17342672
3-bromo-N-[4-(2-phenylethoxy)phenyl]-4-propoxybenzamide
CID 17067040
N-(4-acetylphenyl)-3-bromo-4-propoxybenzamide
CID 17342671
3-bromo-4-fluoro-N-(4-propoxyphenyl)benzamide
CID 107952344
3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide
CID 17342674
4-bromo-3-hydroxy-N-(4-propoxyphenyl)benzamide
CID 103885194
N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide
CID 1095399
3-bromo-4-ethoxy-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide
CID 17073820
3-bromo-4-(3-methylbutoxy)-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 17339461
3-bromo-4-propoxy-N-(3-propoxyphenyl)benzamide
CID 17096782
3-bromo-4-ethoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123630

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-N-(4-propoxyphenyl)benzamide?
The IUPAC name of 3-bromo-4-ethoxy-N-(4-propoxyphenyl)benzamide (CID 17073835) is 3-bromo-4-ethoxy-N-(4-propoxyphenyl)benzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-N-(4-propoxyphenyl)benzamide?
The canonical SMILES for 3-bromo-4-ethoxy-N-(4-propoxyphenyl)benzamide is CCCOc1ccc(NC(=O)c2ccc(OCC)c(Br)c2)cc1.
What is the InChIKey of 3-bromo-4-ethoxy-N-(4-propoxyphenyl)benzamide?
The InChIKey is FXHFYRBVBJIAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-3-11-23-15-8-6-14(7-9-15)20-18(21)13-5-10-17(22-4-2)16(19)12-13/h5-10,12H,3-4,11H2,1-2H3,(H,20,21).
What are the key properties of 3-bromo-4-ethoxy-N-(4-propoxyphenyl)benzamide?
3-bromo-4-ethoxy-N-(4-propoxyphenyl)benzamide has a molecular weight of 378.27 g/mol, XLogP of 4.89, 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-(4-propoxyphenyl)benzamide is sourced from PubChem (CID 17073835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).