5-bromo-2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide

C15H13BrClNO2 — CID 103772690

IUPAC5-bromo-2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
SMILESO=C(N[C@@H](CO)c1ccccc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H13BrClNO2/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-/m0/s1
InChIKeyFMAUZOFHTLTADC-AWEZNQCLSA-N
MW354.63 g/mol
LogP3.57
Rot. Bonds4

About 5-bromo-2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide

5-bromo-2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide (PubChem CID 103772690) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
PubChem CID103772690
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC Name5-bromo-2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
SMILESO=C(N[C@@H](CO)c1ccccc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H13BrClNO2/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-/m0/s1
InChIKeyFMAUZOFHTLTADC-AWEZNQCLSA-N
XLogP3.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 104920633
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
5-bromo-2-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide
CID 58185158
2-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 103945177
4-chloro-2-hydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63182530
2-amino-3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 107861897
(2R)-2-[(5-bromo-2-chlorobenzoyl)amino]propanoic acid
CID 78972945
2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110004367
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
2,5-dichloro-N-(2-chloro-1-phenylethyl)benzamide
CID 114300057
4-chloro-3-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 103944860
3-amino-4-chloro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184761

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide (CID 103772690) is 5-bromo-2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide is O=C(N[C@@H](CO)c1ccccc1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide?
The InChIKey is FMAUZOFHTLTADC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H13BrClNO2/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-/m0/s1.
What are the key properties of 5-bromo-2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide?
5-bromo-2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide has a molecular weight of 354.63 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide is sourced from PubChem (CID 103772690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).