2-[(2-hydroxy-2-phenylethyl)carbamoyl]benzoic acid

C16H15NO4 — CID 2812763

IUPAC2-[(2-hydroxy-2-phenylethyl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NCC(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)
InChIKeyXQMGZUDXRUQXII-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.85
Rot. Bonds5

About 2-[(2-hydroxy-2-phenylethyl)carbamoyl]benzoic acid

2-[(2-hydroxy-2-phenylethyl)carbamoyl]benzoic acid (PubChem CID 2812763) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-phenylethyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-2-phenylethyl)carbamoyl]benzoic acid
PubChem CID2812763
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-[(2-hydroxy-2-phenylethyl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NCC(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)
InChIKeyXQMGZUDXRUQXII-UHFFFAOYSA-N
XLogP1.85
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-phenylethyl)carbamoyl]benzoic acid?
The IUPAC name of 2-[(2-hydroxy-2-phenylethyl)carbamoyl]benzoic acid (CID 2812763) is 2-[(2-hydroxy-2-phenylethyl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[(2-hydroxy-2-phenylethyl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[(2-hydroxy-2-phenylethyl)carbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)NCC(O)c1ccccc1.
What is the InChIKey of 2-[(2-hydroxy-2-phenylethyl)carbamoyl]benzoic acid?
The InChIKey is XQMGZUDXRUQXII-UHFFFAOYSA-N. 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).
What are the key properties of 2-[(2-hydroxy-2-phenylethyl)carbamoyl]benzoic acid?
2-[(2-hydroxy-2-phenylethyl)carbamoyl]benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-phenylethyl)carbamoyl]benzoic acid is sourced from PubChem (CID 2812763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).