2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide

C17H19FN2O2 — CID 11722448

IUPAC2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
SMILESCC(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
InChIInChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)
InChIKeyNEMGRZFTLSKBAP-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.37
Rot. Bonds7

About 2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide

2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide (PubChem CID 11722448) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide.

Molecular Properties

Compound Name2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
PubChem CID11722448
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
SMILESCC(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
InChIInChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)
InChIKeyNEMGRZFTLSKBAP-UHFFFAOYSA-N
XLogP2.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide?
The IUPAC name of 2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide (CID 11722448) is 2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide.
What is the SMILES notation for 2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide?
The canonical SMILES for 2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide is CC(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O.
What is the InChIKey of 2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide?
The InChIKey is NEMGRZFTLSKBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21).
What are the key properties of 2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide?
2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide has a molecular weight of 302.35 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide is sourced from PubChem (CID 11722448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).