ethyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate

C11H12F2N2O3 — CID 113002353

IUPACethyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
SMILESCCOC(=O)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C11H12F2N2O3/c1-2-18-11(17)14-6-10(16)15-7-3-4-8(12)9(13)5-7/h3-5H,2,6H2,1H3,(H,14,17)(H,15,16)
InChIKeyATGIZIRDHLQVOH-UHFFFAOYSA-N
MW258.22 g/mol
LogP1.65
Rot. Bonds4

About ethyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate

ethyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate (PubChem CID 113002353) has the molecular formula C11H12F2N2O3 and a molecular weight of 258.22 g/mol. Its IUPAC name is ethyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
PubChem CID113002353
Molecular FormulaC11H12F2N2O3
Molecular Weight258.22 g/mol
Exact Mass258.08
IUPAC Nameethyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
SMILESCCOC(=O)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C11H12F2N2O3/c1-2-18-11(17)14-6-10(16)15-7-3-4-8(12)9(13)5-7/h3-5H,2,6H2,1H3,(H,14,17)(H,15,16)
InChIKeyATGIZIRDHLQVOH-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

methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 47129041
ethyl N-[2-(3,4-dimethylanilino)-2-oxoethyl]carbamate
CID 47187195
ethyl 2-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]sulfanylacetate
CID 9286921
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxyacetate
CID 9289649
ethyl N-[2-(3-bromo-4-methylanilino)-2-oxoethyl]carbamate
CID 112998523
ethyl 2-[(3,4-difluorophenyl)carbamoylamino]acetate
CID 17174426
N-(3,4-difluorophenyl)propanamide
CID 4285365
ethyl 4-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]butanoate
CID 60648232
ethyl 4-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate
CID 113000796
ethyl N-[2-(2,6-difluoroanilino)-2-oxoethyl]carbamate
CID 113002294
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
methyl 3-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate
CID 112999894

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate?
The IUPAC name of ethyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate (CID 113002353) is ethyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate?
The canonical SMILES for ethyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate is CCOC(=O)NCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of ethyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate?
The InChIKey is ATGIZIRDHLQVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O3/c1-2-18-11(17)14-6-10(16)15-7-3-4-8(12)9(13)5-7/h3-5H,2,6H2,1H3,(H,14,17)(H,15,16).
What are the key properties of ethyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate?
ethyl N-[2-(3,4-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-(3,4-difluoroanilino)-2-oxoethyl]carbamate is sourced from PubChem (CID 113002353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).