N-(1-bromo-3-phenylpropan-2-yl)-2-hydroxybenzamide

C16H16BrNO2 — CID 114311235

IUPACN-(1-bromo-3-phenylpropan-2-yl)-2-hydroxybenzamide
SMILESO=C(NC(CBr)Cc1ccccc1)c1ccccc1O
InChIInChI=1S/C16H16BrNO2/c17-11-13(10-12-6-2-1-3-7-12)18-16(20)14-8-4-5-9-15(14)19/h1-9,13,19H,10-11H2,(H,18,20)
InChIKeyYKOCJYFFPDFBAS-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.13
Rot. Bonds5

About N-(1-bromo-3-phenylpropan-2-yl)-2-hydroxybenzamide

N-(1-bromo-3-phenylpropan-2-yl)-2-hydroxybenzamide (PubChem CID 114311235) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is N-(1-bromo-3-phenylpropan-2-yl)-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-bromo-3-phenylpropan-2-yl)-2-hydroxybenzamide
PubChem CID114311235
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC NameN-(1-bromo-3-phenylpropan-2-yl)-2-hydroxybenzamide
SMILESO=C(NC(CBr)Cc1ccccc1)c1ccccc1O
InChIInChI=1S/C16H16BrNO2/c17-11-13(10-12-6-2-1-3-7-12)18-16(20)14-8-4-5-9-15(14)19/h1-9,13,19H,10-11H2,(H,18,20)
InChIKeyYKOCJYFFPDFBAS-UHFFFAOYSA-N
XLogP3.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-bromo-3-phenylpropan-2-yl)-2,6-dihydroxybenzamide
CID 107691100
2,3-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673829
N-(1-bromo-3-phenylpropan-2-yl)-2-phenylacetamide
CID 114311192
4-bromo-2-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673615
[(2R)-2-benzamido-3-phenylpropyl] (2R)-2-[(2-hydroxybenzoyl)amino]-3-phenylpropanoate
CID 57393139
N-(1-bromo-3-phenylpropan-2-yl)-3-fluoropyridine-4-carboxamide
CID 114311258
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 42364147
3-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-4-carboxamide
CID 81442857
N-(1-hydroxy-3-phenylpropan-2-yl)-2-iodobenzamide
CID 6709695
2-benzoyl-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 21190791
2-fluoro-N-(1-phenylbutan-2-yl)benzamide
CID 2973548
3-bromo-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide
CID 102673913

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-phenylpropan-2-yl)-2-hydroxybenzamide?
The IUPAC name of N-(1-bromo-3-phenylpropan-2-yl)-2-hydroxybenzamide (CID 114311235) is N-(1-bromo-3-phenylpropan-2-yl)-2-hydroxybenzamide.
What is the SMILES notation for N-(1-bromo-3-phenylpropan-2-yl)-2-hydroxybenzamide?
The canonical SMILES for N-(1-bromo-3-phenylpropan-2-yl)-2-hydroxybenzamide is O=C(NC(CBr)Cc1ccccc1)c1ccccc1O.
What is the InChIKey of N-(1-bromo-3-phenylpropan-2-yl)-2-hydroxybenzamide?
The InChIKey is YKOCJYFFPDFBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c17-11-13(10-12-6-2-1-3-7-12)18-16(20)14-8-4-5-9-15(14)19/h1-9,13,19H,10-11H2,(H,18,20).
What are the key properties of N-(1-bromo-3-phenylpropan-2-yl)-2-hydroxybenzamide?
N-(1-bromo-3-phenylpropan-2-yl)-2-hydroxybenzamide has a molecular weight of 334.21 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-phenylpropan-2-yl)-2-hydroxybenzamide is sourced from PubChem (CID 114311235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).