N-[3-(3-fluoroanilino)propyl]-2-methyloxolane-3-carboxamide

C15H21FN2O2 — CID 75520898

IUPACN-[3-(3-fluoroanilino)propyl]-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NCCCNc1cccc(F)c1
InChIInChI=1S/C15H21FN2O2/c1-11-14(6-9-20-11)15(19)18-8-3-7-17-13-5-2-4-12(16)10-13/h2,4-5,10-11,14,17H,3,6-9H2,1H3,(H,18,19)
InChIKeyJMFBUVYERCMINH-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.17
Rot. Bonds6

About N-[3-(3-fluoroanilino)propyl]-2-methyloxolane-3-carboxamide

N-[3-(3-fluoroanilino)propyl]-2-methyloxolane-3-carboxamide (PubChem CID 75520898) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[3-(3-fluoroanilino)propyl]-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-fluoroanilino)propyl]-2-methyloxolane-3-carboxamide
PubChem CID75520898
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-[3-(3-fluoroanilino)propyl]-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NCCCNc1cccc(F)c1
InChIInChI=1S/C15H21FN2O2/c1-11-14(6-9-20-11)15(19)18-8-3-7-17-13-5-2-4-12(16)10-13/h2,4-5,10-11,14,17H,3,6-9H2,1H3,(H,18,19)
InChIKeyJMFBUVYERCMINH-UHFFFAOYSA-N
XLogP2.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluoroanilino)propyl]-2-methyloxolane-3-carboxamide?
The IUPAC name of N-[3-(3-fluoroanilino)propyl]-2-methyloxolane-3-carboxamide (CID 75520898) is N-[3-(3-fluoroanilino)propyl]-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[3-(3-fluoroanilino)propyl]-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-[3-(3-fluoroanilino)propyl]-2-methyloxolane-3-carboxamide is CC1OCCC1C(=O)NCCCNc1cccc(F)c1.
What is the InChIKey of N-[3-(3-fluoroanilino)propyl]-2-methyloxolane-3-carboxamide?
The InChIKey is JMFBUVYERCMINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-11-14(6-9-20-11)15(19)18-8-3-7-17-13-5-2-4-12(16)10-13/h2,4-5,10-11,14,17H,3,6-9H2,1H3,(H,18,19).
What are the key properties of N-[3-(3-fluoroanilino)propyl]-2-methyloxolane-3-carboxamide?
N-[3-(3-fluoroanilino)propyl]-2-methyloxolane-3-carboxamide has a molecular weight of 280.34 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluoroanilino)propyl]-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 75520898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).