[2-(3-fluoroanilino)-2-oxoethyl] 2-benzamido-2-phenylacetate

C23H19FN2O4 — CID 46661250

IUPAC[2-(3-fluoroanilino)-2-oxoethyl] 2-benzamido-2-phenylacetate
SMILESO=C(COC(=O)C(NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(F)c1
InChIInChI=1S/C23H19FN2O4/c24-18-12-7-13-19(14-18)25-20(27)15-30-23(29)21(16-8-3-1-4-9-16)26-22(28)17-10-5-2-6-11-17/h1-14,21H,15H2,(H,25,27)(H,26,28)
InChIKeyCTXLRQOXXDALKP-UHFFFAOYSA-N
MW406.41 g/mol
LogP3.48
Rot. Bonds7

About [2-(3-fluoroanilino)-2-oxoethyl] 2-benzamido-2-phenylacetate

[2-(3-fluoroanilino)-2-oxoethyl] 2-benzamido-2-phenylacetate (PubChem CID 46661250) has the molecular formula C23H19FN2O4 and a molecular weight of 406.41 g/mol. Its IUPAC name is [2-(3-fluoroanilino)-2-oxoethyl] 2-benzamido-2-phenylacetate.

Molecular Properties

Compound Name[2-(3-fluoroanilino)-2-oxoethyl] 2-benzamido-2-phenylacetate
PubChem CID46661250
Molecular FormulaC23H19FN2O4
Molecular Weight406.41 g/mol
Exact Mass406.13
IUPAC Name[2-(3-fluoroanilino)-2-oxoethyl] 2-benzamido-2-phenylacetate
SMILESO=C(COC(=O)C(NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(F)c1
InChIInChI=1S/C23H19FN2O4/c24-18-12-7-13-19(14-18)25-20(27)15-30-23(29)21(16-8-3-1-4-9-16)26-22(28)17-10-5-2-6-11-17/h1-14,21H,15H2,(H,25,27)(H,26,28)
InChIKeyCTXLRQOXXDALKP-UHFFFAOYSA-N
XLogP3.48
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-fluoroanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 7842743
[2-(3-fluoroanilino)-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887341
[2-(3-fluoroanilino)-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7616777
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-benzamido-2-phenylacetate
CID 55459883
[2-(3-fluoroanilino)-2-oxoethyl] (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 2364120
2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-fluorophenyl)acetamide
CID 9372367
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9007695
[2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877443
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 9007692
N-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]benzamide
CID 51606082
[2-oxo-2-(pentylamino)ethyl] 2-benzamido-2-phenylacetate
CID 55459412
[2-(3-fluoroanilino)-2-oxoethyl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate
CID 7573318

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 2-benzamido-2-phenylacetate?
The IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 2-benzamido-2-phenylacetate (CID 46661250) is [2-(3-fluoroanilino)-2-oxoethyl] 2-benzamido-2-phenylacetate.
What is the SMILES notation for [2-(3-fluoroanilino)-2-oxoethyl] 2-benzamido-2-phenylacetate?
The canonical SMILES for [2-(3-fluoroanilino)-2-oxoethyl] 2-benzamido-2-phenylacetate is O=C(COC(=O)C(NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(F)c1.
What is the InChIKey of [2-(3-fluoroanilino)-2-oxoethyl] 2-benzamido-2-phenylacetate?
The InChIKey is CTXLRQOXXDALKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4/c24-18-12-7-13-19(14-18)25-20(27)15-30-23(29)21(16-8-3-1-4-9-16)26-22(28)17-10-5-2-6-11-17/h1-14,21H,15H2,(H,25,27)(H,26,28).
What are the key properties of [2-(3-fluoroanilino)-2-oxoethyl] 2-benzamido-2-phenylacetate?
[2-(3-fluoroanilino)-2-oxoethyl] 2-benzamido-2-phenylacetate has a molecular weight of 406.41 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoroanilino)-2-oxoethyl] 2-benzamido-2-phenylacetate is sourced from PubChem (CID 46661250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).