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

C22H18FNO3 — CID 5216142

IUPAC[2-(benzhydrylamino)-2-oxoethyl] 2-fluorobenzoate
SMILESO=C(COC(=O)c1ccccc1F)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18FNO3/c23-19-14-8-7-13-18(19)22(26)27-15-20(25)24-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,21H,15H2,(H,24,25)
InChIKeyKSLHWKMHGCHCLF-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.89
Rot. Bonds6

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

[2-(benzhydrylamino)-2-oxoethyl] 2-fluorobenzoate (PubChem CID 5216142) has the molecular formula C22H18FNO3 and a molecular weight of 363.39 g/mol. Its IUPAC name is [2-(benzhydrylamino)-2-oxoethyl] 2-fluorobenzoate.

Molecular Properties

Compound Name[2-(benzhydrylamino)-2-oxoethyl] 2-fluorobenzoate
PubChem CID5216142
Molecular FormulaC22H18FNO3
Molecular Weight363.39 g/mol
Exact Mass363.13
IUPAC Name[2-(benzhydrylamino)-2-oxoethyl] 2-fluorobenzoate
SMILESO=C(COC(=O)c1ccccc1F)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18FNO3/c23-19-14-8-7-13-18(19)22(26)27-15-20(25)24-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,21H,15H2,(H,24,25)
InChIKeyKSLHWKMHGCHCLF-UHFFFAOYSA-N
XLogP3.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 2-fluorobenzoate?
The IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 2-fluorobenzoate (CID 5216142) is [2-(benzhydrylamino)-2-oxoethyl] 2-fluorobenzoate.
What is the SMILES notation for [2-(benzhydrylamino)-2-oxoethyl] 2-fluorobenzoate?
The canonical SMILES for [2-(benzhydrylamino)-2-oxoethyl] 2-fluorobenzoate is O=C(COC(=O)c1ccccc1F)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(benzhydrylamino)-2-oxoethyl] 2-fluorobenzoate?
The InChIKey is KSLHWKMHGCHCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO3/c23-19-14-8-7-13-18(19)22(26)27-15-20(25)24-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,21H,15H2,(H,24,25).
What are the key properties of [2-(benzhydrylamino)-2-oxoethyl] 2-fluorobenzoate?
[2-(benzhydrylamino)-2-oxoethyl] 2-fluorobenzoate has a molecular weight of 363.39 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzhydrylamino)-2-oxoethyl] 2-fluorobenzoate is sourced from PubChem (CID 5216142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).