2,5-dibromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide

C15H13Br2NO2 — CID 104920633

IUPAC2,5-dibromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
SMILESO=C(N[C@H](CO)c1ccccc1)c1cc(Br)ccc1Br
InChIInChI=1S/C15H13Br2NO2/c16-11-6-7-13(17)12(8-11)15(20)18-14(9-19)10-4-2-1-3-5-10/h1-8,14,19H,9H2,(H,18,20)/t14-/m1/s1
InChIKeyAVWPLKBOCUWCKR-CQSZACIVSA-N
MW399.08 g/mol
LogP3.67
Rot. Bonds4

About 2,5-dibromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide

2,5-dibromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (PubChem CID 104920633) has the molecular formula C15H13Br2NO2 and a molecular weight of 399.08 g/mol. Its IUPAC name is 2,5-dibromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
PubChem CID104920633
Molecular FormulaC15H13Br2NO2
Molecular Weight399.08 g/mol
Exact Mass396.93
IUPAC Name2,5-dibromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
SMILESO=C(N[C@H](CO)c1ccccc1)c1cc(Br)ccc1Br
InChIInChI=1S/C15H13Br2NO2/c16-11-6-7-13(17)12(8-11)15(20)18-14(9-19)10-4-2-1-3-5-10/h1-8,14,19H,9H2,(H,18,20)/t14-/m1/s1
InChIKeyAVWPLKBOCUWCKR-CQSZACIVSA-N
XLogP3.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.08
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772690
2,5-dibromo-N-[(1S)-1-phenylethyl]benzamide
CID 1019458
2-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 103945177
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
2,5-dibromo-N-(2-bromo-2-phenylethyl)benzamide
CID 114375751
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
5-bromo-2-ethoxy-N-(1-phenylpropyl)benzamide
CID 43911555
2,5-dibromo-N-(1-hydroxybutan-2-yl)benzamide
CID 114371947
2-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide
CID 103945105
N-(2-amino-2-phenylethyl)-2,5-dibromobenzamide
CID 114374319
1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboxamide
CID 10044629

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The IUPAC name of 2,5-dibromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (CID 104920633) is 2,5-dibromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.
What is the SMILES notation for 2,5-dibromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The canonical SMILES for 2,5-dibromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is O=C(N[C@H](CO)c1ccccc1)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The InChIKey is AVWPLKBOCUWCKR-CQSZACIVSA-N. The full InChI is InChI=1S/C15H13Br2NO2/c16-11-6-7-13(17)12(8-11)15(20)18-14(9-19)10-4-2-1-3-5-10/h1-8,14,19H,9H2,(H,18,20)/t14-/m1/s1.
What are the key properties of 2,5-dibromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
2,5-dibromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide has a molecular weight of 399.08 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is sourced from PubChem (CID 104920633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).