[2-(1,2-diphenylethylamino)-2-oxoethyl] 2-fluorobenzoate

C23H20FNO3 — CID 18193784

IUPAC[2-(1,2-diphenylethylamino)-2-oxoethyl] 2-fluorobenzoate
SMILESO=C(COC(=O)c1ccccc1F)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H20FNO3/c24-20-14-8-7-13-19(20)23(27)28-16-22(26)25-21(18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-14,21H,15-16H2,(H,25,26)
InChIKeyYUGXFBGJPBUFRH-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.08
Rot. Bonds7

About [2-(1,2-diphenylethylamino)-2-oxoethyl] 2-fluorobenzoate

[2-(1,2-diphenylethylamino)-2-oxoethyl] 2-fluorobenzoate (PubChem CID 18193784) has the molecular formula C23H20FNO3 and a molecular weight of 377.42 g/mol. Its IUPAC name is [2-(1,2-diphenylethylamino)-2-oxoethyl] 2-fluorobenzoate.

Molecular Properties

Compound Name[2-(1,2-diphenylethylamino)-2-oxoethyl] 2-fluorobenzoate
PubChem CID18193784
Molecular FormulaC23H20FNO3
Molecular Weight377.42 g/mol
Exact Mass377.14
IUPAC Name[2-(1,2-diphenylethylamino)-2-oxoethyl] 2-fluorobenzoate
SMILESO=C(COC(=O)c1ccccc1F)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H20FNO3/c24-20-14-8-7-13-19(20)23(27)28-16-22(26)25-21(18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-14,21H,15-16H2,(H,25,26)
InChIKeyYUGXFBGJPBUFRH-UHFFFAOYSA-N
XLogP4.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 8520255
[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 8566042
4-O-[2-(1,2-diphenylethylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 55373772
[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 8520166
[2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8530232
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 4-bromo-2-fluorobenzoate
CID 9388113
[2-(benzhydrylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619818
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-fluoro-4-methoxybenzoate
CID 7491086
1,2-diphenylethylurea
CID 2853470
[2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 8520907
6-amino-N-(1,2-diphenylethyl)hexanamide
CID 42792343
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 5-chloro-2-fluorobenzoate
CID 95181216

Frequently Asked Questions

What is the IUPAC name of [2-(1,2-diphenylethylamino)-2-oxoethyl] 2-fluorobenzoate?
The IUPAC name of [2-(1,2-diphenylethylamino)-2-oxoethyl] 2-fluorobenzoate (CID 18193784) is [2-(1,2-diphenylethylamino)-2-oxoethyl] 2-fluorobenzoate.
What is the SMILES notation for [2-(1,2-diphenylethylamino)-2-oxoethyl] 2-fluorobenzoate?
The canonical SMILES for [2-(1,2-diphenylethylamino)-2-oxoethyl] 2-fluorobenzoate is O=C(COC(=O)c1ccccc1F)NC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of [2-(1,2-diphenylethylamino)-2-oxoethyl] 2-fluorobenzoate?
The InChIKey is YUGXFBGJPBUFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO3/c24-20-14-8-7-13-19(20)23(27)28-16-22(26)25-21(18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-14,21H,15-16H2,(H,25,26).
What are the key properties of [2-(1,2-diphenylethylamino)-2-oxoethyl] 2-fluorobenzoate?
[2-(1,2-diphenylethylamino)-2-oxoethyl] 2-fluorobenzoate has a molecular weight of 377.42 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,2-diphenylethylamino)-2-oxoethyl] 2-fluorobenzoate is sourced from PubChem (CID 18193784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).