4-[2-fluoro-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide

C15H22FN3O2 — CID 83098530

IUPAC4-[2-fluoro-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide
SMILESCCCNCc1ccc(N2CCOCC2C(N)=O)c(F)c1
InChIInChI=1S/C15H22FN3O2/c1-2-5-18-9-11-3-4-13(12(16)8-11)19-6-7-21-10-14(19)15(17)20/h3-4,8,14,18H,2,5-7,9-10H2,1H3,(H2,17,20)
InChIKeyFFNRHTKZJBCCRA-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.02
Rot. Bonds6

About 4-[2-fluoro-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide

4-[2-fluoro-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide (PubChem CID 83098530) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-[2-fluoro-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-fluoro-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide
PubChem CID83098530
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name4-[2-fluoro-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide
SMILESCCCNCc1ccc(N2CCOCC2C(N)=O)c(F)c1
InChIInChI=1S/C15H22FN3O2/c1-2-5-18-9-11-3-4-13(12(16)8-11)19-6-7-21-10-14(19)15(17)20/h3-4,8,14,18H,2,5-7,9-10H2,1H3,(H2,17,20)
InChIKeyFFNRHTKZJBCCRA-UHFFFAOYSA-N
XLogP1.02
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide?
The IUPAC name of 4-[2-fluoro-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide (CID 83098530) is 4-[2-fluoro-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[2-fluoro-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[2-fluoro-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide is CCCNCc1ccc(N2CCOCC2C(N)=O)c(F)c1.
What is the InChIKey of 4-[2-fluoro-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide?
The InChIKey is FFNRHTKZJBCCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-2-5-18-9-11-3-4-13(12(16)8-11)19-6-7-21-10-14(19)15(17)20/h3-4,8,14,18H,2,5-7,9-10H2,1H3,(H2,17,20).
What are the key properties of 4-[2-fluoro-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide?
4-[2-fluoro-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 83098530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).