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

C12H15FN2O2 — CID 79751128

IUPACN-(5-amino-2-fluorophenyl)-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C12H15FN2O2/c1-7-9(4-5-17-7)12(16)15-11-6-8(14)2-3-10(11)13/h2-3,6-7,9H,4-5,14H2,1H3,(H,15,16)
InChIKeyOIHCLEALULUBNE-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.77
Rot. Bonds2

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

N-(5-amino-2-fluorophenyl)-2-methyloxolane-3-carboxamide (PubChem CID 79751128) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-methyloxolane-3-carboxamide
PubChem CID79751128
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC NameN-(5-amino-2-fluorophenyl)-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C12H15FN2O2/c1-7-9(4-5-17-7)12(16)15-11-6-8(14)2-3-10(11)13/h2-3,6-7,9H,4-5,14H2,1H3,(H,15,16)
InChIKeyOIHCLEALULUBNE-UHFFFAOYSA-N
XLogP1.77
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-5-sulfamoylphenyl)-2-methyloxolane-3-carboxamide
CID 79762826
N-(2-amino-4-methylphenyl)-2-methyloxolane-3-carboxamide
CID 79750828
N-(5-amino-2-fluorophenyl)-3-(2-methyloxolan-3-yl)sulfanylpropanamide
CID 107748281
N-(5-amino-2-fluorophenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81466790
N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyloxolane-3-carboxamide
CID 79754636
N-(5-amino-2-fluorophenyl)cyclopent-3-ene-1-carboxamide
CID 64766487
N-(5-amino-2-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 43600111
5-amino-2-fluoro-N-(2-methyloxolan-3-yl)benzamide
CID 82726014
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methyloxolane-3-carboxamide
CID 79762974
2-methyl-N-phenyloxolane-3-carboxamide
CID 79758849
N-[2-(N'-hydroxycarbamimidoyl)phenyl]-2-methyloxolane-3-carboxamide
CID 79763446
2-fluoro-4-[(2-methyloxolane-3-carbonyl)amino]benzenesulfonyl chloride
CID 79759048

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-methyloxolane-3-carboxamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-methyloxolane-3-carboxamide (CID 79751128) is N-(5-amino-2-fluorophenyl)-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-methyloxolane-3-carboxamide is CC1OCCC1C(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-methyloxolane-3-carboxamide?
The InChIKey is OIHCLEALULUBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-7-9(4-5-17-7)12(16)15-11-6-8(14)2-3-10(11)13/h2-3,6-7,9H,4-5,14H2,1H3,(H,15,16).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-methyloxolane-3-carboxamide?
N-(5-amino-2-fluorophenyl)-2-methyloxolane-3-carboxamide has a molecular weight of 238.26 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 79751128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).