N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methyloxolane-3-carboxamide

C15H17FN2O2 — CID 79762974

IUPACN-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)Nc1ccc(F)cc1C#CCN
InChIInChI=1S/C15H17FN2O2/c1-10-13(6-8-20-10)15(19)18-14-5-4-12(16)9-11(14)3-2-7-17/h4-5,9-10,13H,6-8,17H2,1H3,(H,18,19)
InChIKeyBMAKWJZWZZREJH-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.50
Rot. Bonds2

About N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methyloxolane-3-carboxamide

N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methyloxolane-3-carboxamide (PubChem CID 79762974) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methyloxolane-3-carboxamide
PubChem CID79762974
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC NameN-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)Nc1ccc(F)cc1C#CCN
InChIInChI=1S/C15H17FN2O2/c1-10-13(6-8-20-10)15(19)18-14-5-4-12(16)9-11(14)3-2-7-17/h4-5,9-10,13H,6-8,17H2,1H3,(H,18,19)
InChIKeyBMAKWJZWZZREJH-UHFFFAOYSA-N
XLogP1.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]cycloheptanecarboxamide
CID 62589276
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2,2-dimethylpropanamide
CID 60814903
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-oxopyrrolidine-2-carboxamide
CID 60814898
methyl N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]carbamate
CID 60814781
N-(5-amino-2-fluorophenyl)-2-methyloxolane-3-carboxamide
CID 79751128
N-(2-amino-4-methylphenyl)-2-methyloxolane-3-carboxamide
CID 79750828
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-(1-methoxycyclobutyl)acetamide
CID 103557462
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]thiophene-2-carboxamide
CID 60813557
N-(2-fluoro-5-sulfamoylphenyl)-2-methyloxolane-3-carboxamide
CID 79762826
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-4-methylthiadiazole-5-carboxamide
CID 60812729
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]oxolane-3-carboxamide
CID 81271078
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-1,4-dioxane-2-carboxamide
CID 81270841

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methyloxolane-3-carboxamide?
The IUPAC name of N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methyloxolane-3-carboxamide (CID 79762974) is N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methyloxolane-3-carboxamide is CC1OCCC1C(=O)Nc1ccc(F)cc1C#CCN.
What is the InChIKey of N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methyloxolane-3-carboxamide?
The InChIKey is BMAKWJZWZZREJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-10-13(6-8-20-10)15(19)18-14-5-4-12(16)9-11(14)3-2-7-17/h4-5,9-10,13H,6-8,17H2,1H3,(H,18,19).
What are the key properties of N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methyloxolane-3-carboxamide?
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methyloxolane-3-carboxamide has a molecular weight of 276.31 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 79762974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).