methyl 5-[(2-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate

C19H21FN2O3 — CID 667122

IUPACmethyl 5-[(2-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(NCc2ccccc2F)ccc1N1CCOCC1
InChIInChI=1S/C19H21FN2O3/c1-24-19(23)16-12-15(21-13-14-4-2-3-5-17(14)20)6-7-18(16)22-8-10-25-11-9-22/h2-7,12,21H,8-11,13H2,1H3
InChIKeyGZLPESJYMZVRCM-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.06
Rot. Bonds5

About methyl 5-[(2-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate

methyl 5-[(2-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate (PubChem CID 667122) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is methyl 5-[(2-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 5-[(2-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate
PubChem CID667122
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Namemethyl 5-[(2-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(NCc2ccccc2F)ccc1N1CCOCC1
InChIInChI=1S/C19H21FN2O3/c1-24-19(23)16-12-15(21-13-14-4-2-3-5-17(14)20)6-7-18(16)22-8-10-25-11-9-22/h2-7,12,21H,8-11,13H2,1H3
InChIKeyGZLPESJYMZVRCM-UHFFFAOYSA-N
XLogP3.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate?
The IUPAC name of methyl 5-[(2-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate (CID 667122) is methyl 5-[(2-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate.
What is the SMILES notation for methyl 5-[(2-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate?
The canonical SMILES for methyl 5-[(2-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate is COC(=O)c1cc(NCc2ccccc2F)ccc1N1CCOCC1.
What is the InChIKey of methyl 5-[(2-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate?
The InChIKey is GZLPESJYMZVRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-24-19(23)16-12-15(21-13-14-4-2-3-5-17(14)20)6-7-18(16)22-8-10-25-11-9-22/h2-7,12,21H,8-11,13H2,1H3.
What are the key properties of methyl 5-[(2-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate?
methyl 5-[(2-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate has a molecular weight of 344.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate is sourced from PubChem (CID 667122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).