4-bromo-2-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide

C16H16BrNO3 — CID 102673615

IUPAC4-bromo-2-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)c1ccc(Br)cc1O
InChIInChI=1S/C16H16BrNO3/c17-12-6-7-14(15(20)9-12)16(21)18-13(10-19)8-11-4-2-1-3-5-11/h1-7,9,13,19-20H,8,10H2,(H,18,21)/t13-/m0/s1
InChIKeyXLFBFRFTUGNGRE-ZDUSSCGKSA-N
MW350.21 g/mol
LogP2.49
Rot. Bonds5

About 4-bromo-2-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide

4-bromo-2-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide (PubChem CID 102673615) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name4-bromo-2-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
PubChem CID102673615
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name4-bromo-2-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)c1ccc(Br)cc1O
InChIInChI=1S/C16H16BrNO3/c17-12-6-7-14(15(20)9-12)16(21)18-13(10-19)8-11-4-2-1-3-5-11/h1-7,9,13,19-20H,8,10H2,(H,18,21)/t13-/m0/s1
InChIKeyXLFBFRFTUGNGRE-ZDUSSCGKSA-N
XLogP2.49
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861126
2,3-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673829
2-fluoro-4-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 104696636
3-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-4-carboxamide
CID 81442857
N-(1-bromo-3-phenylpropan-2-yl)-2-hydroxybenzamide
CID 114311235
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
5-amino-2-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260701
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 42364147
3,4-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102103629
4-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673887
3-bromo-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide
CID 102673913
N-(1-hydroxy-3-phenylpropan-2-yl)-2-iodobenzamide
CID 6709695

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The IUPAC name of 4-bromo-2-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide (CID 102673615) is 4-bromo-2-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 4-bromo-2-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for 4-bromo-2-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide is O=C(N[C@H](CO)Cc1ccccc1)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-2-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The InChIKey is XLFBFRFTUGNGRE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16BrNO3/c17-12-6-7-14(15(20)9-12)16(21)18-13(10-19)8-11-4-2-1-3-5-11/h1-7,9,13,19-20H,8,10H2,(H,18,21)/t13-/m0/s1.
What are the key properties of 4-bromo-2-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
4-bromo-2-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide has a molecular weight of 350.21 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 102673615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).