[2-(dibenzylamino)-2-oxoethyl] 2,4-difluorobenzoate

C23H19F2NO3 — CID 23988753

IUPAC[2-(dibenzylamino)-2-oxoethyl] 2,4-difluorobenzoate
SMILESO=C(OCC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C23H19F2NO3/c24-19-11-12-20(21(25)13-19)23(28)29-16-22(27)26(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18/h1-13H,14-16H2
InChIKeyJVXOYTFVLKOCIW-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.35
Rot. Bonds7

About [2-(dibenzylamino)-2-oxoethyl] 2,4-difluorobenzoate

[2-(dibenzylamino)-2-oxoethyl] 2,4-difluorobenzoate (PubChem CID 23988753) has the molecular formula C23H19F2NO3 and a molecular weight of 395.41 g/mol. Its IUPAC name is [2-(dibenzylamino)-2-oxoethyl] 2,4-difluorobenzoate.

Molecular Properties

Compound Name[2-(dibenzylamino)-2-oxoethyl] 2,4-difluorobenzoate
PubChem CID23988753
Molecular FormulaC23H19F2NO3
Molecular Weight395.41 g/mol
Exact Mass395.13
IUPAC Name[2-(dibenzylamino)-2-oxoethyl] 2,4-difluorobenzoate
SMILESO=C(OCC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C23H19F2NO3/c24-19-11-12-20(21(25)13-19)23(28)29-16-22(27)26(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18/h1-13H,14-16H2
InChIKeyJVXOYTFVLKOCIW-UHFFFAOYSA-N
XLogP4.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(benzylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2338039
[2-(dibenzylamino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7820802
[2-(dibenzylamino)-2-oxoethyl] 4-(2-oxo-2-phenylacetyl)benzoate
CID 2531997
N-(2-aminoethyl)-N-benzyl-2-chloro-4-fluorobenzamide
CID 104859477
[2-(dibenzylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7663083
N-(3-aminopropyl)-N-benzyl-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride
CID 120649599
N-(2-aminoethyl)-N-benzyl-4-fluoro-2-iodobenzamide
CID 104859557
N-[3-[benzyl(cyanomethyl)amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 55864480
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate
CID 55404716
[2-(dibenzylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 7504988
N-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide
CID 63047882
N-[2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 78838061

Frequently Asked Questions

What is the IUPAC name of [2-(dibenzylamino)-2-oxoethyl] 2,4-difluorobenzoate?
The IUPAC name of [2-(dibenzylamino)-2-oxoethyl] 2,4-difluorobenzoate (CID 23988753) is [2-(dibenzylamino)-2-oxoethyl] 2,4-difluorobenzoate.
What is the SMILES notation for [2-(dibenzylamino)-2-oxoethyl] 2,4-difluorobenzoate?
The canonical SMILES for [2-(dibenzylamino)-2-oxoethyl] 2,4-difluorobenzoate is O=C(OCC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of [2-(dibenzylamino)-2-oxoethyl] 2,4-difluorobenzoate?
The InChIKey is JVXOYTFVLKOCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2NO3/c24-19-11-12-20(21(25)13-19)23(28)29-16-22(27)26(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18/h1-13H,14-16H2.
What are the key properties of [2-(dibenzylamino)-2-oxoethyl] 2,4-difluorobenzoate?
[2-(dibenzylamino)-2-oxoethyl] 2,4-difluorobenzoate has a molecular weight of 395.41 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dibenzylamino)-2-oxoethyl] 2,4-difluorobenzoate is sourced from PubChem (CID 23988753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).