4-bromo-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide

C15H14BrNO2 — CID 6936176

IUPAC4-bromo-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide
SMILESO=C(NC[C@H](O)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrNO2/c16-13-8-6-12(7-9-13)15(19)17-10-14(18)11-4-2-1-3-5-11/h1-9,14,18H,10H2,(H,17,19)/t14-/m0/s1
InChIKeyYEDYXMUOPFFPBD-AWEZNQCLSA-N
MW320.19 g/mol
LogP2.91
Rot. Bonds4

About 4-bromo-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide

4-bromo-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide (PubChem CID 6936176) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 4-bromo-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide
PubChem CID6936176
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name4-bromo-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide
SMILESO=C(NC[C@H](O)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrNO2/c16-13-8-6-12(7-9-13)15(19)17-10-14(18)11-4-2-1-3-5-11/h1-9,14,18H,10H2,(H,17,19)/t14-/m0/s1
InChIKeyYEDYXMUOPFFPBD-AWEZNQCLSA-N
XLogP2.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769
3-bromo-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide
CID 103842939
4-bromo-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90500059
1-(4-bromophenyl)-3-[(2-hydroxy-2-phenylethyl)amino]propan-1-one
CID 110177571
(2R,3S)-2-(benzamidomethyl)-3-(4-bromophenyl)-3-hydroxypropanoic acid
CID 175172319
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
4-bromo-N-(2,2-difluoroethyl)benzamide
CID 79079579
4-(cyclobutanecarbonylamino)-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 95124394
4-(cyclobutanecarbonylamino)-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide
CID 95124395
N-[(2R)-2-hydroxy-2-phenylethyl]-3-methoxy-4-methylbenzamide
CID 93033692
4-bromo-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide
CID 24636628

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide?
The IUPAC name of 4-bromo-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide (CID 6936176) is 4-bromo-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide?
The canonical SMILES for 4-bromo-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide is O=C(NC[C@H](O)c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide?
The InChIKey is YEDYXMUOPFFPBD-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H14BrNO2/c16-13-8-6-12(7-9-13)15(19)17-10-14(18)11-4-2-1-3-5-11/h1-9,14,18H,10H2,(H,17,19)/t14-/m0/s1.
What are the key properties of 4-bromo-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide?
4-bromo-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide has a molecular weight of 320.19 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide is sourced from PubChem (CID 6936176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).