[2-(benzhydrylamino)-2-oxoethyl] 2-hydroxybenzoate

C22H19NO4 — CID 2343076

IUPAC[2-(benzhydrylamino)-2-oxoethyl] 2-hydroxybenzoate
SMILESO=C(COC(=O)c1ccccc1O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO4/c24-19-14-8-7-13-18(19)22(26)27-15-20(25)23-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,21,24H,15H2,(H,23,25)
InChIKeyXIRCTWDRIMAIAC-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.45
Rot. Bonds6

About [2-(benzhydrylamino)-2-oxoethyl] 2-hydroxybenzoate

[2-(benzhydrylamino)-2-oxoethyl] 2-hydroxybenzoate (PubChem CID 2343076) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is [2-(benzhydrylamino)-2-oxoethyl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[2-(benzhydrylamino)-2-oxoethyl] 2-hydroxybenzoate
PubChem CID2343076
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name[2-(benzhydrylamino)-2-oxoethyl] 2-hydroxybenzoate
SMILESO=C(COC(=O)c1ccccc1O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO4/c24-19-14-8-7-13-18(19)22(26)27-15-20(25)23-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,21,24H,15H2,(H,23,25)
InChIKeyXIRCTWDRIMAIAC-UHFFFAOYSA-N
XLogP3.45
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 2-hydroxybenzoate?
The IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 2-hydroxybenzoate (CID 2343076) is [2-(benzhydrylamino)-2-oxoethyl] 2-hydroxybenzoate.
What is the SMILES notation for [2-(benzhydrylamino)-2-oxoethyl] 2-hydroxybenzoate?
The canonical SMILES for [2-(benzhydrylamino)-2-oxoethyl] 2-hydroxybenzoate is O=C(COC(=O)c1ccccc1O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(benzhydrylamino)-2-oxoethyl] 2-hydroxybenzoate?
The InChIKey is XIRCTWDRIMAIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c24-19-14-8-7-13-18(19)22(26)27-15-20(25)23-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,21,24H,15H2,(H,23,25).
What are the key properties of [2-(benzhydrylamino)-2-oxoethyl] 2-hydroxybenzoate?
[2-(benzhydrylamino)-2-oxoethyl] 2-hydroxybenzoate has a molecular weight of 361.40 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzhydrylamino)-2-oxoethyl] 2-hydroxybenzoate is sourced from PubChem (CID 2343076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).