3-(5-bromo-2-hydroxyphenyl)-N-tert-butyl-3-phenylpropanamide

C19H22BrNO2 — CID 2925351

IUPAC3-(5-bromo-2-hydroxyphenyl)-N-tert-butyl-3-phenylpropanamide
SMILESCC(C)(C)NC(=O)CC(c1ccccc1)c1cc(Br)ccc1O
InChIInChI=1S/C19H22BrNO2/c1-19(2,3)21-18(23)12-15(13-7-5-4-6-8-13)16-11-14(20)9-10-17(16)22/h4-11,15,22H,12H2,1-3H3,(H,21,23)
InChIKeyCPFUEANGYZBIQQ-UHFFFAOYSA-N
MW376.29 g/mol
LogP4.59
Rot. Bonds4

About 3-(5-bromo-2-hydroxyphenyl)-N-tert-butyl-3-phenylpropanamide

3-(5-bromo-2-hydroxyphenyl)-N-tert-butyl-3-phenylpropanamide (PubChem CID 2925351) has the molecular formula C19H22BrNO2 and a molecular weight of 376.29 g/mol. Its IUPAC name is 3-(5-bromo-2-hydroxyphenyl)-N-tert-butyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-(5-bromo-2-hydroxyphenyl)-N-tert-butyl-3-phenylpropanamide
PubChem CID2925351
Molecular FormulaC19H22BrNO2
Molecular Weight376.29 g/mol
Exact Mass375.08
IUPAC Name3-(5-bromo-2-hydroxyphenyl)-N-tert-butyl-3-phenylpropanamide
SMILESCC(C)(C)NC(=O)CC(c1ccccc1)c1cc(Br)ccc1O
InChIInChI=1S/C19H22BrNO2/c1-19(2,3)21-18(23)12-15(13-7-5-4-6-8-13)16-11-14(20)9-10-17(16)22/h4-11,15,22H,12H2,1-3H3,(H,21,23)
InChIKeyCPFUEANGYZBIQQ-UHFFFAOYSA-N
XLogP4.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 1314551
(3R)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 1314550
4-hydroxy-3-[3-oxo-1-phenyl-3-(1-phenylethylamino)propyl]benzoic acid
CID 76553624
(3S)-3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 1331148
N-tert-butyl-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 2920507
(3R)-N-benzyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide
CID 27377336
3-(5-bromo-2-hydroxyphenyl)-N-cyclohexyl-3-(4-methoxyphenyl)propanamide
CID 45135151
[(3R)-3-(5-bromo-2-hydroxyphenyl)-3-phenylpropyl]-methyl-di(propan-2-yl)azanium
CID 10140902
3-(1,3-benzodioxol-5-yl)-N-tert-butyl-3-phenylpropanamide
CID 45243758
N-(2-methylbutan-2-yl)-3,3-diphenylpropanamide
CID 1292106
N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 28564730
3-(5-bromo-2-hydroxyphenyl)-N,3-dihydroxypropanamide
CID 71721725

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-hydroxyphenyl)-N-tert-butyl-3-phenylpropanamide?
The IUPAC name of 3-(5-bromo-2-hydroxyphenyl)-N-tert-butyl-3-phenylpropanamide (CID 2925351) is 3-(5-bromo-2-hydroxyphenyl)-N-tert-butyl-3-phenylpropanamide.
What is the SMILES notation for 3-(5-bromo-2-hydroxyphenyl)-N-tert-butyl-3-phenylpropanamide?
The canonical SMILES for 3-(5-bromo-2-hydroxyphenyl)-N-tert-butyl-3-phenylpropanamide is CC(C)(C)NC(=O)CC(c1ccccc1)c1cc(Br)ccc1O.
What is the InChIKey of 3-(5-bromo-2-hydroxyphenyl)-N-tert-butyl-3-phenylpropanamide?
The InChIKey is CPFUEANGYZBIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO2/c1-19(2,3)21-18(23)12-15(13-7-5-4-6-8-13)16-11-14(20)9-10-17(16)22/h4-11,15,22H,12H2,1-3H3,(H,21,23).
What are the key properties of 3-(5-bromo-2-hydroxyphenyl)-N-tert-butyl-3-phenylpropanamide?
3-(5-bromo-2-hydroxyphenyl)-N-tert-butyl-3-phenylpropanamide has a molecular weight of 376.29 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-hydroxyphenyl)-N-tert-butyl-3-phenylpropanamide is sourced from PubChem (CID 2925351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).