[2-(4-fluoro-N-propan-2-ylanilino)-2-oxoethyl] acetate

C13H16FNO3 — CID 10220637

IUPAC[2-(4-fluoro-N-propan-2-ylanilino)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C13H16FNO3/c1-9(2)15(13(17)8-18-10(3)16)12-6-4-11(14)5-7-12/h4-7,9H,8H2,1-3H3
InChIKeyNVGMNTIWDVRZNQ-UHFFFAOYSA-N
MW253.27 g/mol
LogP2.13
Rot. Bonds4

About [2-(4-fluoro-N-propan-2-ylanilino)-2-oxoethyl] acetate

[2-(4-fluoro-N-propan-2-ylanilino)-2-oxoethyl] acetate (PubChem CID 10220637) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is [2-(4-fluoro-N-propan-2-ylanilino)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(4-fluoro-N-propan-2-ylanilino)-2-oxoethyl] acetate
PubChem CID10220637
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name[2-(4-fluoro-N-propan-2-ylanilino)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C13H16FNO3/c1-9(2)15(13(17)8-18-10(3)16)12-6-4-11(14)5-7-12/h4-7,9H,8H2,1-3H3
InChIKeyNVGMNTIWDVRZNQ-UHFFFAOYSA-N
XLogP2.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-2-hydroxy-N-propan-2-ylacetamide
CID 169440701
N-(4-fluorophenyl)-N-propan-2-ylpropanamide
CID 18339665
ethyl N-(4-fluorophenyl)-N-propan-2-ylcarbamate
CID 117061413
[2-(4-fluoro-N-propan-2-ylanilino)-1-hydroxy-2-oxoethyl] acetate
CID 140995964
2-(1,3-benzothiazol-2-yloxy)-N-(4-fluorophenyl)-N-propan-2-ylacetamide
CID 139069972
[2-[4-[(2-acetyloxyacetyl)-(2-methylpropyl)amino]-N-(2-methylpropyl)anilino]-2-oxoethyl] acetate
CID 137491901
2-(N-amino-4-fluoroanilino)ethyl acetate
CID 174542148
N-(4-fluorophenyl)-N-propan-2-ylacetamide;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 88710742
2-[[5-chloro-1-(difluoromethyl)-1,3,4-thiadiazol-1-ium-2-yl]oxy]-N-(4-fluorophenyl)-N-propan-2-ylacetamide
CID 162568255
2-(2,4-difluorophenoxy)-N-phenyl-N-propan-2-ylacetamide
CID 78790507
sodium;N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide;hydride
CID 173247368
N-[4-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylacetamide
CID 115949136

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoro-N-propan-2-ylanilino)-2-oxoethyl] acetate?
The IUPAC name of [2-(4-fluoro-N-propan-2-ylanilino)-2-oxoethyl] acetate (CID 10220637) is [2-(4-fluoro-N-propan-2-ylanilino)-2-oxoethyl] acetate.
What is the SMILES notation for [2-(4-fluoro-N-propan-2-ylanilino)-2-oxoethyl] acetate?
The canonical SMILES for [2-(4-fluoro-N-propan-2-ylanilino)-2-oxoethyl] acetate is CC(=O)OCC(=O)N(c1ccc(F)cc1)C(C)C.
What is the InChIKey of [2-(4-fluoro-N-propan-2-ylanilino)-2-oxoethyl] acetate?
The InChIKey is NVGMNTIWDVRZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-9(2)15(13(17)8-18-10(3)16)12-6-4-11(14)5-7-12/h4-7,9H,8H2,1-3H3.
What are the key properties of [2-(4-fluoro-N-propan-2-ylanilino)-2-oxoethyl] acetate?
[2-(4-fluoro-N-propan-2-ylanilino)-2-oxoethyl] acetate has a molecular weight of 253.27 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoro-N-propan-2-ylanilino)-2-oxoethyl] acetate is sourced from PubChem (CID 10220637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).