[2-(4-fluorophenyl)-2-oxoethyl] N-methylcarbamate

C10H10FNO3 — CID 144688613

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] N-methylcarbamate
SMILESCNC(=O)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C10H10FNO3/c1-12-10(14)15-6-9(13)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,14)
InChIKeyPXBFDEXHDWSFAX-UHFFFAOYSA-N
MW211.19 g/mol
LogP1.36
Rot. Bonds3

About [2-(4-fluorophenyl)-2-oxoethyl] N-methylcarbamate

[2-(4-fluorophenyl)-2-oxoethyl] N-methylcarbamate (PubChem CID 144688613) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] N-methylcarbamate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] N-methylcarbamate
PubChem CID144688613
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] N-methylcarbamate
SMILESCNC(=O)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C10H10FNO3/c1-12-10(14)15-6-9(13)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,14)
InChIKeyPXBFDEXHDWSFAX-UHFFFAOYSA-N
XLogP1.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-O-[2-(4-fluorophenyl)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239651
[2-(4-fluorophenyl)-2-oxoethyl] 3-phenylprop-2-ynoate
CID 102518021
1-[4-(4-fluorophenyl)phenyl]-2-methoxyethanone
CID 146011430
ethyl 3-(4-fluorophenyl)-3-oxopropanoate;propane
CID 174275035
2-[(R)-amino(sulfanyl)methoxy]-1-(4-fluorophenyl)ethanone
CID 124638969
2-butan-2-yloxy-1-(4-fluorophenyl)ethanone
CID 60902739
[2-(4-fluorophenyl)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 27450994
[2-(4-fluorophenyl)-2-oxoethyl] (2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
CID 126009742
[2-(4-fluorophenyl)-2-oxoethyl] 6-acetamidohexanoate
CID 5186490
[2-(4-fluorophenyl)-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate
CID 7753150
[2-(4-fluorophenyl)-2-oxoethyl] (2S)-4-amino-4-oxo-2-(phenoxycarbonylamino)butanoate
CID 126006555
[2-(methylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2627763

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] N-methylcarbamate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] N-methylcarbamate (CID 144688613) is [2-(4-fluorophenyl)-2-oxoethyl] N-methylcarbamate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] N-methylcarbamate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] N-methylcarbamate is CNC(=O)OCC(=O)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] N-methylcarbamate?
The InChIKey is PXBFDEXHDWSFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c1-12-10(14)15-6-9(13)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,14).
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] N-methylcarbamate?
[2-(4-fluorophenyl)-2-oxoethyl] N-methylcarbamate has a molecular weight of 211.19 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] N-methylcarbamate is sourced from PubChem (CID 144688613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).