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

C10H10F2N2O3 — CID 47129041

IUPACmethyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C10H10F2N2O3/c1-17-10(16)13-5-9(15)14-6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3,(H,13,16)(H,14,15)
InChIKeyNOUPFNUWAVKAEY-UHFFFAOYSA-N
MW244.20 g/mol
LogP1.26
Rot. Bonds3

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

methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate (PubChem CID 47129041) has the molecular formula C10H10F2N2O3 and a molecular weight of 244.20 g/mol. Its IUPAC name is methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
PubChem CID47129041
Molecular FormulaC10H10F2N2O3
Molecular Weight244.20 g/mol
Exact Mass244.07
IUPAC Namemethyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C10H10F2N2O3/c1-17-10(16)13-5-9(15)14-6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3,(H,13,16)(H,14,15)
InChIKeyNOUPFNUWAVKAEY-UHFFFAOYSA-N
XLogP1.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 113002353
N-(3,4-difluorophenyl)-2-[(4-methoxyphenyl)carbamothioylamino]acetamide
CID 8682019
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
N-(3,4-difluorophenyl)propanamide
CID 4285365
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
N-(3,4-difluorophenyl)-2-(phenylcarbamoylamino)acetamide
CID 17451179
2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide
CID 42663674
N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009628
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide
CID 17395084
N-(3,4-difluorophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 110688906
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide
CID 113002351
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxyacetate
CID 9289649

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate (CID 47129041) is methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate is COC(=O)NCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate?
The InChIKey is NOUPFNUWAVKAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O3/c1-17-10(16)13-5-9(15)14-6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3,(H,13,16)(H,14,15).
What are the key properties of methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate?
methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate has a molecular weight of 244.20 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate is sourced from PubChem (CID 47129041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).