[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate

C17H13ClF2N2O4 — CID 9103025

IUPAC[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1c(F)cccc1Cl)NC(=O)Nc1ccccc1F
InChIInChI=1S/C17H13ClF2N2O4/c18-11-4-3-6-12(19)10(11)8-16(24)26-9-15(23)22-17(25)21-14-7-2-1-5-13(14)20/h1-7H,8-9H2,(H2,21,22,23,25)
InChIKeyCSAQNBJIAGKUJF-UHFFFAOYSA-N
MW382.75 g/mol
LogP3.05
Rot. Bonds5

About [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate

[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate (PubChem CID 9103025) has the molecular formula C17H13ClF2N2O4 and a molecular weight of 382.75 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
PubChem CID9103025
Molecular FormulaC17H13ClF2N2O4
Molecular Weight382.75 g/mol
Exact Mass382.05
IUPAC Name[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1c(F)cccc1Cl)NC(=O)Nc1ccccc1F
InChIInChI=1S/C17H13ClF2N2O4/c18-11-4-3-6-12(19)10(11)8-16(24)26-9-15(23)22-17(25)21-14-7-2-1-5-13(14)20/h1-7H,8-9H2,(H2,21,22,23,25)
InChIKeyCSAQNBJIAGKUJF-UHFFFAOYSA-N
XLogP3.05
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.75
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The IUPAC name of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate (CID 9103025) is [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate.
What is the SMILES notation for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The canonical SMILES for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate is O=C(COC(=O)Cc1c(F)cccc1Cl)NC(=O)Nc1ccccc1F.
What is the InChIKey of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The InChIKey is CSAQNBJIAGKUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N2O4/c18-11-4-3-6-12(19)10(11)8-16(24)26-9-15(23)22-17(25)21-14-7-2-1-5-13(14)20/h1-7H,8-9H2,(H2,21,22,23,25).
What are the key properties of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate has a molecular weight of 382.75 g/mol, XLogP of 3.05, 5 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-chloro-6-fluorophenyl)acetate is sourced from PubChem (CID 9103025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).