N-[2-(3-fluoroanilino)-2-oxoethyl]oxolane-2-carboxamide

C13H15FN2O3 — CID 49336024

IUPACN-[2-(3-fluoroanilino)-2-oxoethyl]oxolane-2-carboxamide
SMILESO=C(CNC(=O)C1CCCO1)Nc1cccc(F)c1
InChIInChI=1S/C13H15FN2O3/c14-9-3-1-4-10(7-9)16-12(17)8-15-13(18)11-5-2-6-19-11/h1,3-4,7,11H,2,5-6,8H2,(H,15,18)(H,16,17)
InChIKeyDTBYLXCWFGLWSX-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.06
Rot. Bonds4

About N-[2-(3-fluoroanilino)-2-oxoethyl]oxolane-2-carboxamide

N-[2-(3-fluoroanilino)-2-oxoethyl]oxolane-2-carboxamide (PubChem CID 49336024) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is N-[2-(3-fluoroanilino)-2-oxoethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluoroanilino)-2-oxoethyl]oxolane-2-carboxamide
PubChem CID49336024
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC NameN-[2-(3-fluoroanilino)-2-oxoethyl]oxolane-2-carboxamide
SMILESO=C(CNC(=O)C1CCCO1)Nc1cccc(F)c1
InChIInChI=1S/C13H15FN2O3/c14-9-3-1-4-10(7-9)16-12(17)8-15-13(18)11-5-2-6-19-11/h1,3-4,7,11H,2,5-6,8H2,(H,15,18)(H,16,17)
InChIKeyDTBYLXCWFGLWSX-UHFFFAOYSA-N
XLogP1.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-acetamidoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 112999667
N-[2-(3-cyanoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113001915
N-[2-(3-fluoroanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 772128
N-[2-(3-fluoroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 772134
N-(3-fluorophenyl)-2-[[N-methyl-C-[4-(oxolane-2-carbonyl)piperazin-1-yl]carbonimidoyl]amino]acetamide;hydroiodide
CID 111302754
N-[2-(2,4-difluoroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113000825
N-[2-(3,4-dichloroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113001183
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634846
N-[2-(4-methylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 112996161
N-[2-(4-bromoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 47309395
N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 119308743
N-[2-(3-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 119308747

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]oxolane-2-carboxamide (CID 49336024) is N-[2-(3-fluoroanilino)-2-oxoethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(3-fluoroanilino)-2-oxoethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(3-fluoroanilino)-2-oxoethyl]oxolane-2-carboxamide is O=C(CNC(=O)C1CCCO1)Nc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluoroanilino)-2-oxoethyl]oxolane-2-carboxamide?
The InChIKey is DTBYLXCWFGLWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c14-9-3-1-4-10(7-9)16-12(17)8-15-13(18)11-5-2-6-19-11/h1,3-4,7,11H,2,5-6,8H2,(H,15,18)(H,16,17).
What are the key properties of N-[2-(3-fluoroanilino)-2-oxoethyl]oxolane-2-carboxamide?
N-[2-(3-fluoroanilino)-2-oxoethyl]oxolane-2-carboxamide has a molecular weight of 266.27 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoroanilino)-2-oxoethyl]oxolane-2-carboxamide is sourced from PubChem (CID 49336024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).