N-[2-(2,4-difluoroanilino)-2-oxoethyl]oxolane-2-carboxamide

C13H14F2N2O3 — CID 113000825

IUPACN-[2-(2,4-difluoroanilino)-2-oxoethyl]oxolane-2-carboxamide
SMILESO=C(CNC(=O)C1CCCO1)Nc1ccc(F)cc1F
InChIInChI=1S/C13H14F2N2O3/c14-8-3-4-10(9(15)6-8)17-12(18)7-16-13(19)11-2-1-5-20-11/h3-4,6,11H,1-2,5,7H2,(H,16,19)(H,17,18)
InChIKeyGNSIHVBXNWYAKK-UHFFFAOYSA-N
MW284.26 g/mol
LogP1.20
Rot. Bonds4

About N-[2-(2,4-difluoroanilino)-2-oxoethyl]oxolane-2-carboxamide

N-[2-(2,4-difluoroanilino)-2-oxoethyl]oxolane-2-carboxamide (PubChem CID 113000825) has the molecular formula C13H14F2N2O3 and a molecular weight of 284.26 g/mol. Its IUPAC name is N-[2-(2,4-difluoroanilino)-2-oxoethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-difluoroanilino)-2-oxoethyl]oxolane-2-carboxamide
PubChem CID113000825
Molecular FormulaC13H14F2N2O3
Molecular Weight284.26 g/mol
Exact Mass284.10
IUPAC NameN-[2-(2,4-difluoroanilino)-2-oxoethyl]oxolane-2-carboxamide
SMILESO=C(CNC(=O)C1CCCO1)Nc1ccc(F)cc1F
InChIInChI=1S/C13H14F2N2O3/c14-8-3-4-10(9(15)6-8)17-12(18)7-16-13(19)11-2-1-5-20-11/h3-4,6,11H,1-2,5,7H2,(H,16,19)(H,17,18)
InChIKeyGNSIHVBXNWYAKK-UHFFFAOYSA-N
XLogP1.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluoroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 49336024
N-[2-(3-aminopropanoylamino)-4-fluorophenyl]oxolane-2-carboxamide
CID 82034303
N-[2-(4-methylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 112996161
N-[2-(2,4-difluorophenoxy)ethyl]oxolane-2-carboxamide
CID 113102317
N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide
CID 112997084
N-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113000271
N-[2-(4-bromoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 47309395
N-[2-(3,4-dichloroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113001183
N-[2-(3-acetamidoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 112999667
2-(cyclooctylamino)-N-(2,4-difluorophenyl)acetamide
CID 9265336
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxolane-2-carboxamide
CID 110605031
(2S)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide
CID 32608102

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluoroanilino)-2-oxoethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(2,4-difluoroanilino)-2-oxoethyl]oxolane-2-carboxamide (CID 113000825) is N-[2-(2,4-difluoroanilino)-2-oxoethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(2,4-difluoroanilino)-2-oxoethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(2,4-difluoroanilino)-2-oxoethyl]oxolane-2-carboxamide is O=C(CNC(=O)C1CCCO1)Nc1ccc(F)cc1F.
What is the InChIKey of N-[2-(2,4-difluoroanilino)-2-oxoethyl]oxolane-2-carboxamide?
The InChIKey is GNSIHVBXNWYAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O3/c14-8-3-4-10(9(15)6-8)17-12(18)7-16-13(19)11-2-1-5-20-11/h3-4,6,11H,1-2,5,7H2,(H,16,19)(H,17,18).
What are the key properties of N-[2-(2,4-difluoroanilino)-2-oxoethyl]oxolane-2-carboxamide?
N-[2-(2,4-difluoroanilino)-2-oxoethyl]oxolane-2-carboxamide has a molecular weight of 284.26 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluoroanilino)-2-oxoethyl]oxolane-2-carboxamide is sourced from PubChem (CID 113000825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).