(2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyloxolane-2-carboxamide

C14H17FN2O3 — CID 9440816

IUPAC(2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyloxolane-2-carboxamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)[C@H]1CCCO1
InChIInChI=1S/C14H17FN2O3/c1-17(14(19)12-3-2-8-20-12)9-13(18)16-11-6-4-10(15)5-7-11/h4-7,12H,2-3,8-9H2,1H3,(H,16,18)/t12-/m1/s1
InChIKeyORCKJNBDWPXLLU-GFCCVEGCSA-N
MW280.30 g/mol
LogP1.40
Rot. Bonds4

About (2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyloxolane-2-carboxamide

(2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyloxolane-2-carboxamide (PubChem CID 9440816) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is (2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyloxolane-2-carboxamide
PubChem CID9440816
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name(2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyloxolane-2-carboxamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)[C@H]1CCCO1
InChIInChI=1S/C14H17FN2O3/c1-17(14(19)12-3-2-8-20-12)9-13(18)16-11-6-4-10(15)5-7-11/h4-7,12H,2-3,8-9H2,1H3,(H,16,18)/t12-/m1/s1
InChIKeyORCKJNBDWPXLLU-GFCCVEGCSA-N
XLogP1.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 9409375
trans-(1R,2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 9441278
(2S)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyloxolane-2-carboxamide
CID 38632443
2-[cyclopropyl(methyl)amino]-N-(4-fluorophenyl)acetamide
CID 47166447
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 17397187
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 2672753
2-[cyclopentyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 113148937
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylfuran-3-carboxamide
CID 17452813
2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide
CID 134121107
N-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide
CID 119711447
N-(4-fluorophenyl)-2-[[N-methyl-C-[4-(oxolane-2-carbonyl)piperazin-1-yl]carbonimidoyl]amino]acetamide;hydroiodide
CID 111302752
2-[cyclohexyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 2111492

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyloxolane-2-carboxamide?
The IUPAC name of (2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyloxolane-2-carboxamide (CID 9440816) is (2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyloxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyloxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyloxolane-2-carboxamide is CN(CC(=O)Nc1ccc(F)cc1)C(=O)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyloxolane-2-carboxamide?
The InChIKey is ORCKJNBDWPXLLU-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-17(14(19)12-3-2-8-20-12)9-13(18)16-11-6-4-10(15)5-7-11/h4-7,12H,2-3,8-9H2,1H3,(H,16,18)/t12-/m1/s1.
What are the key properties of (2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyloxolane-2-carboxamide?
(2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyloxolane-2-carboxamide has a molecular weight of 280.30 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyloxolane-2-carboxamide is sourced from PubChem (CID 9440816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).