2-bromo-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide

C16H16BrNO2 — CID 95368019

IUPAC2-bromo-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide
SMILESC[C@@](O)(CNC(=O)c1ccccc1Br)c1ccccc1
InChIInChI=1S/C16H16BrNO2/c1-16(20,12-7-3-2-4-8-12)11-18-15(19)13-9-5-6-10-14(13)17/h2-10,20H,11H2,1H3,(H,18,19)/t16-/m1/s1
InChIKeyUYTCINUTSHWEST-MRXNPFEDSA-N
MW334.21 g/mol
LogP3.09
Rot. Bonds4

About 2-bromo-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide

2-bromo-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide (PubChem CID 95368019) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 2-bromo-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide
PubChem CID95368019
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name2-bromo-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide
SMILESC[C@@](O)(CNC(=O)c1ccccc1Br)c1ccccc1
InChIInChI=1S/C16H16BrNO2/c1-16(20,12-7-3-2-4-8-12)11-18-15(19)13-9-5-6-10-14(13)17/h2-10,20H,11H2,1H3,(H,18,19)/t16-/m1/s1
InChIKeyUYTCINUTSHWEST-MRXNPFEDSA-N
XLogP3.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-2-phenylpropyl)-2-methylbenzamide
CID 110663960
2-ethoxy-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111925
N-(2-hydroxy-2-phenylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 111335230
N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-bromobenzamide
CID 86267113
N-(2-hydroxy-2-phenylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 111334735
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-methylbenzamide
CID 121085663
2,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 111335243
2-bromo-N-[2-hydroxy-2-(oxan-4-yl)-2-phenylethyl]benzamide
CID 122243831
N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide
CID 110663962
2-bromo-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
CID 51148947
N-(2-hydroxy-2-phenylpropyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 111335159
N-(2-hydroxy-2-phenylpropyl)-3,5-dimethylbenzamide
CID 111334967

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide?
The IUPAC name of 2-bromo-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide (CID 95368019) is 2-bromo-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide.
What is the SMILES notation for 2-bromo-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide?
The canonical SMILES for 2-bromo-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide is C[C@@](O)(CNC(=O)c1ccccc1Br)c1ccccc1.
What is the InChIKey of 2-bromo-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide?
The InChIKey is UYTCINUTSHWEST-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-16(20,12-7-3-2-4-8-12)11-18-15(19)13-9-5-6-10-14(13)17/h2-10,20H,11H2,1H3,(H,18,19)/t16-/m1/s1.
What are the key properties of 2-bromo-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide?
2-bromo-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide has a molecular weight of 334.21 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide is sourced from PubChem (CID 95368019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).