4-bromo-3-hydroxy-N-(4-phenylbutan-2-yl)benzamide

C17H18BrNO2 — CID 103830384

IUPAC4-bromo-3-hydroxy-N-(4-phenylbutan-2-yl)benzamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccc(Br)c(O)c1
InChIInChI=1S/C17H18BrNO2/c1-12(7-8-13-5-3-2-4-6-13)19-17(21)14-9-10-15(18)16(20)11-14/h2-6,9-12,20H,7-8H2,1H3,(H,19,21)
InChIKeyCTXWYLCOOYKYGW-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.91
Rot. Bonds5

About 4-bromo-3-hydroxy-N-(4-phenylbutan-2-yl)benzamide

4-bromo-3-hydroxy-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 103830384) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-hydroxy-N-(4-phenylbutan-2-yl)benzamide
PubChem CID103830384
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name4-bromo-3-hydroxy-N-(4-phenylbutan-2-yl)benzamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccc(Br)c(O)c1
InChIInChI=1S/C17H18BrNO2/c1-12(7-8-13-5-3-2-4-6-13)19-17(21)14-9-10-15(18)16(20)11-14/h2-6,9-12,20H,7-8H2,1H3,(H,19,21)
InChIKeyCTXWYLCOOYKYGW-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-hydroxy-N-[(2R)-5-methylhexan-2-yl]benzamide
CID 97239157
3-bromo-N-(4-phenylbutan-2-yl)benzamide
CID 2900387
3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 880257
3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 903724
4-bromo-3-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 103873373
N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide
CID 107026940
3-bromo-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 2946068
3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 808043
4-bromo-N-(1-cyanopropan-2-yl)-3-hydroxybenzamide
CID 103872840
N-[(2R)-4-phenylbutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704780
3,4-diethoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 798797
2-hydroxy-5-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 42909032

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 4-bromo-3-hydroxy-N-(4-phenylbutan-2-yl)benzamide (CID 103830384) is 4-bromo-3-hydroxy-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 4-bromo-3-hydroxy-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 4-bromo-3-hydroxy-N-(4-phenylbutan-2-yl)benzamide is CC(CCc1ccccc1)NC(=O)c1ccc(Br)c(O)c1.
What is the InChIKey of 4-bromo-3-hydroxy-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is CTXWYLCOOYKYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-12(7-8-13-5-3-2-4-6-13)19-17(21)14-9-10-15(18)16(20)11-14/h2-6,9-12,20H,7-8H2,1H3,(H,19,21).
What are the key properties of 4-bromo-3-hydroxy-N-(4-phenylbutan-2-yl)benzamide?
4-bromo-3-hydroxy-N-(4-phenylbutan-2-yl)benzamide has a molecular weight of 348.24 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-hydroxy-N-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 103830384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).