N-(2-acetyl-5-fluorophenyl)-3-methyloxolane-2-carboxamide

C14H16FNO3 — CID 75503564

IUPACN-(2-acetyl-5-fluorophenyl)-3-methyloxolane-2-carboxamide
SMILESCC(=O)c1ccc(F)cc1NC(=O)C1OCCC1C
InChIInChI=1S/C14H16FNO3/c1-8-5-6-19-13(8)14(18)16-12-7-10(15)3-4-11(12)9(2)17/h3-4,7-8,13H,5-6H2,1-2H3,(H,16,18)
InChIKeyAPOPQZSAHKASCK-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.39
Rot. Bonds3

About N-(2-acetyl-5-fluorophenyl)-3-methyloxolane-2-carboxamide

N-(2-acetyl-5-fluorophenyl)-3-methyloxolane-2-carboxamide (PubChem CID 75503564) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is N-(2-acetyl-5-fluorophenyl)-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-acetyl-5-fluorophenyl)-3-methyloxolane-2-carboxamide
PubChem CID75503564
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC NameN-(2-acetyl-5-fluorophenyl)-3-methyloxolane-2-carboxamide
SMILESCC(=O)c1ccc(F)cc1NC(=O)C1OCCC1C
InChIInChI=1S/C14H16FNO3/c1-8-5-6-19-13(8)14(18)16-12-7-10(15)3-4-11(12)9(2)17/h3-4,7-8,13H,5-6H2,1-2H3,(H,16,18)
InChIKeyAPOPQZSAHKASCK-UHFFFAOYSA-N
XLogP2.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-[(3-methyloxolane-2-carbonyl)amino]benzoic acid
CID 115411107
N-(4-bromo-2,5-difluorophenyl)-3-methyloxolane-2-carboxamide
CID 103842465
N-(2-acetyl-3-methylphenyl)-3-methyloxolane-2-carboxamide
CID 91650588
N-(2-fluoro-4-sulfamoylphenyl)-3-methyloxolane-2-carboxamide
CID 81434051
N-(2-hydroxy-4-methylphenyl)-3-methyloxolane-2-carboxamide
CID 81426078
(2R,3R)-N-(3-acetamidophenyl)-3-methyloxolane-2-carboxamide
CID 124591887
(5-fluoro-2-methylphenyl)-(3-methyloxolan-2-yl)methanone
CID 114970589
(2S,3R)-N-(5-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide
CID 126793790
2-hydroxy-3-[(3-methyloxolane-2-carbonyl)amino]benzoic acid
CID 113458398
(2R,3S)-3-methyl-N-[3-(2-methylpropanoyl)-4-pyridinyl]oxolane-2-carboxamide
CID 124851759
3-methyl-N-[3-(2-methylpropanoyl)-4-pyridinyl]oxolane-2-carboxamide
CID 119045726
N-(2-cyanophenyl)-3-methyloxolane-2-carboxamide
CID 81468862

Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-5-fluorophenyl)-3-methyloxolane-2-carboxamide?
The IUPAC name of N-(2-acetyl-5-fluorophenyl)-3-methyloxolane-2-carboxamide (CID 75503564) is N-(2-acetyl-5-fluorophenyl)-3-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(2-acetyl-5-fluorophenyl)-3-methyloxolane-2-carboxamide?
The canonical SMILES for N-(2-acetyl-5-fluorophenyl)-3-methyloxolane-2-carboxamide is CC(=O)c1ccc(F)cc1NC(=O)C1OCCC1C.
What is the InChIKey of N-(2-acetyl-5-fluorophenyl)-3-methyloxolane-2-carboxamide?
The InChIKey is APOPQZSAHKASCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-8-5-6-19-13(8)14(18)16-12-7-10(15)3-4-11(12)9(2)17/h3-4,7-8,13H,5-6H2,1-2H3,(H,16,18).
What are the key properties of N-(2-acetyl-5-fluorophenyl)-3-methyloxolane-2-carboxamide?
N-(2-acetyl-5-fluorophenyl)-3-methyloxolane-2-carboxamide has a molecular weight of 265.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-5-fluorophenyl)-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 75503564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).