5-bromo-2-ethoxy-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide

C19H22BrNO3 — CID 54856706

IUPAC5-bromo-2-ethoxy-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide
SMILESCCOc1ccc(Br)cc1C(=O)N(C)C(C)C(O)c1ccccc1
InChIInChI=1S/C19H22BrNO3/c1-4-24-17-11-10-15(20)12-16(17)19(23)21(3)13(2)18(22)14-8-6-5-7-9-14/h5-13,18,22H,4H2,1-3H3
InChIKeyXBPVVXRUODUYNL-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.04
Rot. Bonds6

About 5-bromo-2-ethoxy-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide

5-bromo-2-ethoxy-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide (PubChem CID 54856706) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide
PubChem CID54856706
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC Name5-bromo-2-ethoxy-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide
SMILESCCOc1ccc(Br)cc1C(=O)N(C)C(C)C(O)c1ccccc1
InChIInChI=1S/C19H22BrNO3/c1-4-24-17-11-10-15(20)12-16(17)19(23)21(3)13(2)18(22)14-8-6-5-7-9-14/h5-13,18,22H,4H2,1-3H3
InChIKeyXBPVVXRUODUYNL-UHFFFAOYSA-N
XLogP4.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-ethoxy-N-[(1R)-1-phenylethyl]benzamide
CID 975653
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(2-phenoxyethoxy)benzamide
CID 54856797
5-bromo-2-ethoxy-N-(1-phenylpropyl)benzamide
CID 43911555
N-(1-hydroxy-1-phenylpropan-2-yl)-2-methoxy-N-methylbenzamide
CID 54856631
3-bromo-N-(1-hydroxy-1-phenylpropan-2-yl)-4-methoxy-N-methylbenzamide
CID 54856700
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684
2-(4-bromo-2,6-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
CID 54856630
2-(2-bromo-4-chlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
CID 54856930
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide
CID 158962259
5-bromo-2-ethoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 17352958
4-(2-ethoxyethoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide
CID 54856940
5-bromo-2-ethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2947744

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide?
The IUPAC name of 5-bromo-2-ethoxy-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide (CID 54856706) is 5-bromo-2-ethoxy-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide.
What is the SMILES notation for 5-bromo-2-ethoxy-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide?
The canonical SMILES for 5-bromo-2-ethoxy-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide is CCOc1ccc(Br)cc1C(=O)N(C)C(C)C(O)c1ccccc1.
What is the InChIKey of 5-bromo-2-ethoxy-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide?
The InChIKey is XBPVVXRUODUYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-4-24-17-11-10-15(20)12-16(17)19(23)21(3)13(2)18(22)14-8-6-5-7-9-14/h5-13,18,22H,4H2,1-3H3.
What are the key properties of 5-bromo-2-ethoxy-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide?
5-bromo-2-ethoxy-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide has a molecular weight of 392.29 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 54856706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).