3-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-5-methylbenzamide

C17H18BrNO2 — CID 104852694

IUPAC3-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)NC(CO)Cc2ccccc2)c1
InChIInChI=1S/C17H18BrNO2/c1-12-7-14(10-15(18)8-12)17(21)19-16(11-20)9-13-5-3-2-4-6-13/h2-8,10,16,20H,9,11H2,1H3,(H,19,21)
InChIKeyFBAPXUGHGCAZTG-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.09
Rot. Bonds5

About 3-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-5-methylbenzamide

3-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-5-methylbenzamide (PubChem CID 104852694) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 3-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-5-methylbenzamide
PubChem CID104852694
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name3-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)NC(CO)Cc2ccccc2)c1
InChIInChI=1S/C17H18BrNO2/c1-12-7-14(10-15(18)8-12)17(21)19-16(11-20)9-13-5-3-2-4-6-13/h2-8,10,16,20H,9,11H2,1H3,(H,19,21)
InChIKeyFBAPXUGHGCAZTG-UHFFFAOYSA-N
XLogP3.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-methylbenzamide
CID 102673606
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
4-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbenzamide
CID 115874287
3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861182
3-bromo-5-methyl-N-pentan-3-ylbenzamide
CID 104851702
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-4-carboxamide
CID 102673663
2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673888
3-methyl-N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 2226546
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide
CID 101341857
3-methyl-N-[(2R)-1-phenylbutan-2-yl]benzamide
CID 2226547
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-4-carboxamide
CID 107861142
3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzamide
CID 107861214

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-5-methylbenzamide?
The IUPAC name of 3-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-5-methylbenzamide (CID 104852694) is 3-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-5-methylbenzamide is Cc1cc(Br)cc(C(=O)NC(CO)Cc2ccccc2)c1.
What is the InChIKey of 3-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-5-methylbenzamide?
The InChIKey is FBAPXUGHGCAZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-12-7-14(10-15(18)8-12)17(21)19-16(11-20)9-13-5-3-2-4-6-13/h2-8,10,16,20H,9,11H2,1H3,(H,19,21).
What are the key properties of 3-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-5-methylbenzamide?
3-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-5-methylbenzamide has a molecular weight of 348.24 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-5-methylbenzamide is sourced from PubChem (CID 104852694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).