ethyl N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]carbamate

C11H12FNO4 — CID 3101990

IUPACethyl N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]carbamate
SMILESCCOC(=O)NC(O)C(=O)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO4/c1-2-17-11(16)13-10(15)9(14)7-3-5-8(12)6-4-7/h3-6,10,15H,2H2,1H3,(H,13,16)
InChIKeyFWWKLINXMRSEKX-UHFFFAOYSA-N
MW241.22 g/mol
LogP1.07
Rot. Bonds4

About ethyl N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]carbamate

ethyl N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]carbamate (PubChem CID 3101990) has the molecular formula C11H12FNO4 and a molecular weight of 241.22 g/mol. Its IUPAC name is ethyl N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]carbamate
PubChem CID3101990
Molecular FormulaC11H12FNO4
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Nameethyl N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]carbamate
SMILESCCOC(=O)NC(O)C(=O)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO4/c1-2-17-11(16)13-10(15)9(14)7-3-5-8(12)6-4-7/h3-6,10,15H,2H2,1H3,(H,13,16)
InChIKeyFWWKLINXMRSEKX-UHFFFAOYSA-N
XLogP1.07
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide
CID 3101991
4-fluoro-N-(1-hydroxy-2-oxo-2-phenylethyl)benzamide
CID 3583645
N-(1-hydroxy-2-oxo-2-phenylethyl)acetamide
CID 2830273
N-(1-Hydroxy-2-oxo-2-phenyl-ethyl)-benzamide
CID 2830272
N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]propanamide
CID 3312295
Diethyl [2-(4-fluorophenyl)-2-oxoethane-1,1-diyl]biscarbamate
CID 3236295
tert-butyl N-[2-(4-fluorophenyl)-2-oxoethyl]carbamate
CID 16740546
tert-butyl N-[2-(2,4-difluorophenyl)-2-oxoethyl]carbamate
CID 139026640
Methyl (1-hydroxy-2-oxo-2-phenylethyl)carbamate
CID 2834556
(2E)-N-(1-hydroxy-2-oxo-2-phenylethyl)-3-phenylprop-2-enamide
CID 5760115
2-Aminohydroxyacetophenon
CID 19373920
2-(Dimethylamino)-2-hydroxy-1-phenylethan-1-one
CID 130028698

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]carbamate?
The IUPAC name of ethyl N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]carbamate (CID 3101990) is ethyl N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]carbamate?
The canonical SMILES for ethyl N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]carbamate is CCOC(=O)NC(O)C(=O)c1ccc(F)cc1.
What is the InChIKey of ethyl N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]carbamate?
The InChIKey is FWWKLINXMRSEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4/c1-2-17-11(16)13-10(15)9(14)7-3-5-8(12)6-4-7/h3-6,10,15H,2H2,1H3,(H,13,16).
What are the key properties of ethyl N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]carbamate?
ethyl N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]carbamate has a molecular weight of 241.22 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]carbamate is sourced from PubChem (CID 3101990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).