2-[[(2R)-2-hydroxy-2-phenylethyl]carbamoyl]benzoate

C16H14NO4- — CID 7189543

IUPAC2-[[(2R)-2-hydroxy-2-phenylethyl]carbamoyl]benzoate
SMILESO=C([O-])c1ccccc1C(=O)NC[C@H](O)c1ccccc1
InChIInChI=1S/C16H15NO4/c18-14(11-6-2-1-3-7-11)10-17-15(19)12-8-4-5-9-13(12)16(20)21/h1-9,14,18H,10H2,(H,17,19)(H,20,21)/p-1/t14-/m0/s1
InChIKeyXQMGZUDXRUQXII-AWEZNQCLSA-M
MW284.29 g/mol
LogP0.51
Rot. Bonds5

About 2-[[(2R)-2-hydroxy-2-phenylethyl]carbamoyl]benzoate

2-[[(2R)-2-hydroxy-2-phenylethyl]carbamoyl]benzoate (PubChem CID 7189543) has the molecular formula C16H14NO4- and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-[[(2R)-2-hydroxy-2-phenylethyl]carbamoyl]benzoate.

Molecular Properties

Compound Name2-[[(2R)-2-hydroxy-2-phenylethyl]carbamoyl]benzoate
PubChem CID7189543
Molecular FormulaC16H14NO4-
Molecular Weight284.29 g/mol
Exact Mass284.09
IUPAC Name2-[[(2R)-2-hydroxy-2-phenylethyl]carbamoyl]benzoate
SMILESO=C([O-])c1ccccc1C(=O)NC[C@H](O)c1ccccc1
InChIInChI=1S/C16H15NO4/c18-14(11-6-2-1-3-7-11)10-17-15(19)12-8-4-5-9-13(12)16(20)21/h1-9,14,18H,10H2,(H,17,19)(H,20,21)/p-1/t14-/m0/s1
InChIKeyXQMGZUDXRUQXII-AWEZNQCLSA-M
XLogP0.51
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
N-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrrol-1-ylbenzamide
CID 29139340
2-[2-[(2-carboxylatobenzoyl)amino]ethylcarbamoyl]benzoate
CID 40932229
3-amino-2-chloro-N-(2-hydroxy-2-phenylethyl)benzamide
CID 115930153
3-chloro-N-(2-hydroxy-2-phenylethyl)-2-methylbenzamide
CID 107097712
N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide
CID 43391272
2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-carboxamide
CID 103604584
N-(2-hydroxy-2-phenylethyl)-2-methylsulfanylpyridine-3-carboxamide
CID 43391291
4-fluoro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide
CID 103829637
4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 51681217
2-[(4-chlorophenyl)sulfonylamino]-N-(2-hydroxy-2-phenylethyl)benzamide
CID 55527722
4-bromo-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide
CID 6936176

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-hydroxy-2-phenylethyl]carbamoyl]benzoate?
The IUPAC name of 2-[[(2R)-2-hydroxy-2-phenylethyl]carbamoyl]benzoate (CID 7189543) is 2-[[(2R)-2-hydroxy-2-phenylethyl]carbamoyl]benzoate.
What is the SMILES notation for 2-[[(2R)-2-hydroxy-2-phenylethyl]carbamoyl]benzoate?
The canonical SMILES for 2-[[(2R)-2-hydroxy-2-phenylethyl]carbamoyl]benzoate is O=C([O-])c1ccccc1C(=O)NC[C@H](O)c1ccccc1.
What is the InChIKey of 2-[[(2R)-2-hydroxy-2-phenylethyl]carbamoyl]benzoate?
The InChIKey is XQMGZUDXRUQXII-AWEZNQCLSA-M. The full InChI is InChI=1S/C16H15NO4/c18-14(11-6-2-1-3-7-11)10-17-15(19)12-8-4-5-9-13(12)16(20)21/h1-9,14,18H,10H2,(H,17,19)(H,20,21)/p-1/t14-/m0/s1.
What are the key properties of 2-[[(2R)-2-hydroxy-2-phenylethyl]carbamoyl]benzoate?
2-[[(2R)-2-hydroxy-2-phenylethyl]carbamoyl]benzoate has a molecular weight of 284.29 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-hydroxy-2-phenylethyl]carbamoyl]benzoate is sourced from PubChem (CID 7189543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).