ethyl N-[2-(2,6-difluoroanilino)-2-oxoethyl]carbamate

C11H12F2N2O3 — CID 113002294

IUPACethyl N-[2-(2,6-difluoroanilino)-2-oxoethyl]carbamate
SMILESCCOC(=O)NCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C11H12F2N2O3/c1-2-18-11(17)14-6-9(16)15-10-7(12)4-3-5-8(10)13/h3-5H,2,6H2,1H3,(H,14,17)(H,15,16)
InChIKeyKKBNCKUWZZCULT-UHFFFAOYSA-N
MW258.22 g/mol
LogP1.65
Rot. Bonds4

About ethyl N-[2-(2,6-difluoroanilino)-2-oxoethyl]carbamate

ethyl N-[2-(2,6-difluoroanilino)-2-oxoethyl]carbamate (PubChem CID 113002294) has the molecular formula C11H12F2N2O3 and a molecular weight of 258.22 g/mol. Its IUPAC name is ethyl N-[2-(2,6-difluoroanilino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2,6-difluoroanilino)-2-oxoethyl]carbamate
PubChem CID113002294
Molecular FormulaC11H12F2N2O3
Molecular Weight258.22 g/mol
Exact Mass258.08
IUPAC Nameethyl N-[2-(2,6-difluoroanilino)-2-oxoethyl]carbamate
SMILESCCOC(=O)NCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C11H12F2N2O3/c1-2-18-11(17)14-6-9(16)15-10-7(12)4-3-5-8(10)13/h3-5H,2,6H2,1H3,(H,14,17)(H,15,16)
InChIKeyKKBNCKUWZZCULT-UHFFFAOYSA-N
XLogP1.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-(2,6-difluorophenyl)acetamide
CID 110687110
ethyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 113002353
ethyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
CID 112996724
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-methylbenzamide
CID 46745022
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 113002290
N-(2,6-diethylphenyl)-2-(2,6-difluoroanilino)acetamide
CID 109008077
2-ethoxy-N-(2-fluoro-6-methylphenyl)acetamide
CID 115909342
methyl 4-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]benzoate
CID 26417367
methyl 3-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate
CID 112999894
1-(2,6-difluorophenyl)-3-propylurea
CID 21161249
N-(2,6-difluorophenyl)-2-(heptan-2-ylamino)acetamide
CID 60688234
3-amino-N-(2,6-difluorophenyl)-3-methylbutanamide
CID 64684364

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2,6-difluoroanilino)-2-oxoethyl]carbamate?
The IUPAC name of ethyl N-[2-(2,6-difluoroanilino)-2-oxoethyl]carbamate (CID 113002294) is ethyl N-[2-(2,6-difluoroanilino)-2-oxoethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(2,6-difluoroanilino)-2-oxoethyl]carbamate?
The canonical SMILES for ethyl N-[2-(2,6-difluoroanilino)-2-oxoethyl]carbamate is CCOC(=O)NCC(=O)Nc1c(F)cccc1F.
What is the InChIKey of ethyl N-[2-(2,6-difluoroanilino)-2-oxoethyl]carbamate?
The InChIKey is KKBNCKUWZZCULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O3/c1-2-18-11(17)14-6-9(16)15-10-7(12)4-3-5-8(10)13/h3-5H,2,6H2,1H3,(H,14,17)(H,15,16).
What are the key properties of ethyl N-[2-(2,6-difluoroanilino)-2-oxoethyl]carbamate?
ethyl N-[2-(2,6-difluoroanilino)-2-oxoethyl]carbamate has a molecular weight of 258.22 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2,6-difluoroanilino)-2-oxoethyl]carbamate is sourced from PubChem (CID 113002294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).