methyl N-[2-(N-acetyl-4-fluoroanilino)ethyl]carbamate

C12H15FN2O3 — CID 113059341

IUPACmethyl N-[2-(N-acetyl-4-fluoroanilino)ethyl]carbamate
SMILESCOC(=O)NCCN(C(C)=O)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2O3/c1-9(16)15(8-7-14-12(17)18-2)11-5-3-10(13)4-6-11/h3-6H,7-8H2,1-2H3,(H,14,17)
InChIKeyXWTAYMHGNMFMKJ-UHFFFAOYSA-N
MW254.26 g/mol
LogP1.53
Rot. Bonds4

About methyl N-[2-(N-acetyl-4-fluoroanilino)ethyl]carbamate

methyl N-[2-(N-acetyl-4-fluoroanilino)ethyl]carbamate (PubChem CID 113059341) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is methyl N-[2-(N-acetyl-4-fluoroanilino)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(N-acetyl-4-fluoroanilino)ethyl]carbamate
PubChem CID113059341
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Namemethyl N-[2-(N-acetyl-4-fluoroanilino)ethyl]carbamate
SMILESCOC(=O)NCCN(C(C)=O)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2O3/c1-9(16)15(8-7-14-12(17)18-2)11-5-3-10(13)4-6-11/h3-6H,7-8H2,1-2H3,(H,14,17)
InChIKeyXWTAYMHGNMFMKJ-UHFFFAOYSA-N
XLogP1.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-4-fluoroanilino)ethyl]acetamide
CID 113059276
methyl N-[2-(N-acetyl-4-ethylanilino)ethyl]carbamate
CID 113058449
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2,2-dimethylpropanamide
CID 113059285
methyl N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]carbamate
CID 113063574
N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113060664
N-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide
CID 113061648
methyl N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]carbamate
CID 113060022
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113059329
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(4-fluorophenyl)acetamide
CID 113059350
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide
CID 113059098
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113062183
tert-butyl N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]carbamate
CID 113061526

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(N-acetyl-4-fluoroanilino)ethyl]carbamate?
The IUPAC name of methyl N-[2-(N-acetyl-4-fluoroanilino)ethyl]carbamate (CID 113059341) is methyl N-[2-(N-acetyl-4-fluoroanilino)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(N-acetyl-4-fluoroanilino)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(N-acetyl-4-fluoroanilino)ethyl]carbamate is COC(=O)NCCN(C(C)=O)c1ccc(F)cc1.
What is the InChIKey of methyl N-[2-(N-acetyl-4-fluoroanilino)ethyl]carbamate?
The InChIKey is XWTAYMHGNMFMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-9(16)15(8-7-14-12(17)18-2)11-5-3-10(13)4-6-11/h3-6H,7-8H2,1-2H3,(H,14,17).
What are the key properties of methyl N-[2-(N-acetyl-4-fluoroanilino)ethyl]carbamate?
methyl N-[2-(N-acetyl-4-fluoroanilino)ethyl]carbamate has a molecular weight of 254.26 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(N-acetyl-4-fluoroanilino)ethyl]carbamate is sourced from PubChem (CID 113059341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).