ethyl [4-[(2-fluorophenyl)methylcarbamoylamino]phenyl] carbonate

C17H17FN2O4 — CID 108865684

IUPACethyl [4-[(2-fluorophenyl)methylcarbamoylamino]phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(NC(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C17H17FN2O4/c1-2-23-17(22)24-14-9-7-13(8-10-14)20-16(21)19-11-12-5-3-4-6-15(12)18/h3-10H,2,11H2,1H3,(H2,19,20,21)
InChIKeyGQCJQLFCWXSFMP-UHFFFAOYSA-N
MW332.33 g/mol
LogP3.68
Rot. Bonds5

About ethyl [4-[(2-fluorophenyl)methylcarbamoylamino]phenyl] carbonate

ethyl [4-[(2-fluorophenyl)methylcarbamoylamino]phenyl] carbonate (PubChem CID 108865684) has the molecular formula C17H17FN2O4 and a molecular weight of 332.33 g/mol. Its IUPAC name is ethyl [4-[(2-fluorophenyl)methylcarbamoylamino]phenyl] carbonate.

Molecular Properties

Compound Nameethyl [4-[(2-fluorophenyl)methylcarbamoylamino]phenyl] carbonate
PubChem CID108865684
Molecular FormulaC17H17FN2O4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Nameethyl [4-[(2-fluorophenyl)methylcarbamoylamino]phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(NC(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C17H17FN2O4/c1-2-23-17(22)24-14-9-7-13(8-10-14)20-16(21)19-11-12-5-3-4-6-15(12)18/h3-10H,2,11H2,1H3,(H2,19,20,21)
InChIKeyGQCJQLFCWXSFMP-UHFFFAOYSA-N
XLogP3.68
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl] ethyl carbonate
CID 108865473
ethyl N-[4-[(2-fluorophenyl)methylcarbamoylamino]phenyl]-N-methylcarbamate
CID 47070316
ethyl [4-[[2-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108931747
ethyl [4-[(2-methylphenyl)carbamoylamino]phenyl] carbonate
CID 108865434
ethyl 2-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]acetate
CID 108865742
ethyl [4-[(4-phenoxyphenyl)carbamoylamino]phenyl] carbonate
CID 108865510
ethyl [4-(methylcarbamoylamino)phenyl] carbonate
CID 108865616
[4-[(2-tert-butylphenyl)carbamoylamino]phenyl] ethyl carbonate
CID 108865660
ethyl [4-(prop-2-enylcarbamoylamino)phenyl] carbonate
CID 108865619
N'-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]oxamide
CID 2989314
ethyl 4-[[(4-ethoxycarbonyloxyphenyl)carbamoylamino]methyl]benzoate
CID 108865745
ethyl 2-[(2-fluorophenyl)methylcarbamoylamino]acetate
CID 17174428

Frequently Asked Questions

What is the IUPAC name of ethyl [4-[(2-fluorophenyl)methylcarbamoylamino]phenyl] carbonate?
The IUPAC name of ethyl [4-[(2-fluorophenyl)methylcarbamoylamino]phenyl] carbonate (CID 108865684) is ethyl [4-[(2-fluorophenyl)methylcarbamoylamino]phenyl] carbonate.
What is the SMILES notation for ethyl [4-[(2-fluorophenyl)methylcarbamoylamino]phenyl] carbonate?
The canonical SMILES for ethyl [4-[(2-fluorophenyl)methylcarbamoylamino]phenyl] carbonate is CCOC(=O)Oc1ccc(NC(=O)NCc2ccccc2F)cc1.
What is the InChIKey of ethyl [4-[(2-fluorophenyl)methylcarbamoylamino]phenyl] carbonate?
The InChIKey is GQCJQLFCWXSFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4/c1-2-23-17(22)24-14-9-7-13(8-10-14)20-16(21)19-11-12-5-3-4-6-15(12)18/h3-10H,2,11H2,1H3,(H2,19,20,21).
What are the key properties of ethyl [4-[(2-fluorophenyl)methylcarbamoylamino]phenyl] carbonate?
ethyl [4-[(2-fluorophenyl)methylcarbamoylamino]phenyl] carbonate has a molecular weight of 332.33 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [4-[(2-fluorophenyl)methylcarbamoylamino]phenyl] carbonate is sourced from PubChem (CID 108865684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).