3-(5-bromo-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-phenylpropanamide

C19H22BrNO3 — CID 2965132

IUPAC3-(5-bromo-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-phenylpropanamide
SMILESCCN(CCO)C(=O)CC(c1ccccc1)c1cc(Br)ccc1O
InChIInChI=1S/C19H22BrNO3/c1-2-21(10-11-22)19(24)13-16(14-6-4-3-5-7-14)17-12-15(20)8-9-18(17)23/h3-9,12,16,22-23H,2,10-11,13H2,1H3
InChIKeyQDZRQFBIASQJOC-UHFFFAOYSA-N
MW392.29 g/mol
LogP3.52
Rot. Bonds7

About 3-(5-bromo-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-phenylpropanamide

3-(5-bromo-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-phenylpropanamide (PubChem CID 2965132) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is 3-(5-bromo-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-(5-bromo-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-phenylpropanamide
PubChem CID2965132
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC Name3-(5-bromo-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-phenylpropanamide
SMILESCCN(CCO)C(=O)CC(c1ccccc1)c1cc(Br)ccc1O
InChIInChI=1S/C19H22BrNO3/c1-2-21(10-11-22)19(24)13-16(14-6-4-3-5-7-14)17-12-15(20)8-9-18(17)23/h3-9,12,16,22-23H,2,10-11,13H2,1H3
InChIKeyQDZRQFBIASQJOC-UHFFFAOYSA-N
XLogP3.52
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-phenylpropanamide?
The IUPAC name of 3-(5-bromo-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-phenylpropanamide (CID 2965132) is 3-(5-bromo-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-phenylpropanamide.
What is the SMILES notation for 3-(5-bromo-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-phenylpropanamide?
The canonical SMILES for 3-(5-bromo-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-phenylpropanamide is CCN(CCO)C(=O)CC(c1ccccc1)c1cc(Br)ccc1O.
What is the InChIKey of 3-(5-bromo-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-phenylpropanamide?
The InChIKey is QDZRQFBIASQJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-2-21(10-11-22)19(24)13-16(14-6-4-3-5-7-14)17-12-15(20)8-9-18(17)23/h3-9,12,16,22-23H,2,10-11,13H2,1H3.
What are the key properties of 3-(5-bromo-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-phenylpropanamide?
3-(5-bromo-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-phenylpropanamide has a molecular weight of 392.29 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-phenylpropanamide is sourced from PubChem (CID 2965132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).