[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,2-diphenylacetate

C23H19FN2O4 — CID 8578708

IUPAC[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,2-diphenylacetate
SMILESO=C(COC(=O)C(c1ccccc1)c1ccccc1)NC(=O)Nc1ccccc1F
InChIInChI=1S/C23H19FN2O4/c24-18-13-7-8-14-19(18)25-23(29)26-20(27)15-30-22(28)21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,21H,15H2,(H2,25,26,27,29)
InChIKeyQWDKQWOFMBFZOH-UHFFFAOYSA-N
MW406.41 g/mol
LogP3.85
Rot. Bonds6

About [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,2-diphenylacetate

[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,2-diphenylacetate (PubChem CID 8578708) has the molecular formula C23H19FN2O4 and a molecular weight of 406.41 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,2-diphenylacetate
PubChem CID8578708
Molecular FormulaC23H19FN2O4
Molecular Weight406.41 g/mol
Exact Mass406.13
IUPAC Name[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,2-diphenylacetate
SMILESO=C(COC(=O)C(c1ccccc1)c1ccccc1)NC(=O)Nc1ccccc1F
InChIInChI=1S/C23H19FN2O4/c24-18-13-7-8-14-19(18)25-23(29)26-20(27)15-30-22(28)21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,21H,15H2,(H2,25,26,27,29)
InChIKeyQWDKQWOFMBFZOH-UHFFFAOYSA-N
XLogP3.85
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 3,3-diphenylpropanoate
CID 7795318
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 4-methylbenzoate
CID 7971704
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 7750216
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,2-diphenylacetate
CID 7749935
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate
CID 11927399
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771265
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9066166
N-(2-fluorophenyl)-2-hydroxy-2-phenylacetamide
CID 82130440
5-[(2-fluorophenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
CID 62964130
N-[(2-fluorophenyl)carbamoyl]-2-(N-methylanilino)acetamide
CID 8689408
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
CID 7762705
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 16525239

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,2-diphenylacetate?
The IUPAC name of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,2-diphenylacetate (CID 8578708) is [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,2-diphenylacetate.
What is the SMILES notation for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,2-diphenylacetate?
The canonical SMILES for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,2-diphenylacetate is O=C(COC(=O)C(c1ccccc1)c1ccccc1)NC(=O)Nc1ccccc1F.
What is the InChIKey of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,2-diphenylacetate?
The InChIKey is QWDKQWOFMBFZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4/c24-18-13-7-8-14-19(18)25-23(29)26-20(27)15-30-22(28)21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,21H,15H2,(H2,25,26,27,29).
What are the key properties of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,2-diphenylacetate?
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,2-diphenylacetate has a molecular weight of 406.41 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,2-diphenylacetate is sourced from PubChem (CID 8578708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).