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

C19H21FN2O3 — CID 2997066

IUPACmethyl 5-[(4-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(NCc2ccc(F)cc2)ccc1N1CCOCC1
InChIInChI=1S/C19H21FN2O3/c1-24-19(23)17-12-16(21-13-14-2-4-15(20)5-3-14)6-7-18(17)22-8-10-25-11-9-22/h2-7,12,21H,8-11,13H2,1H3
InChIKeyZADHQCHUIMFHBJ-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.06
Rot. Bonds5

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

methyl 5-[(4-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate (PubChem CID 2997066) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is methyl 5-[(4-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 5-[(4-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate
PubChem CID2997066
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Namemethyl 5-[(4-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(NCc2ccc(F)cc2)ccc1N1CCOCC1
InChIInChI=1S/C19H21FN2O3/c1-24-19(23)17-12-16(21-13-14-2-4-15(20)5-3-14)6-7-18(17)22-8-10-25-11-9-22/h2-7,12,21H,8-11,13H2,1H3
InChIKeyZADHQCHUIMFHBJ-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-(benzylamino)-2-morpholin-4-ylbenzoate
CID 2032115
methyl 5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-morpholin-4-ylbenzoate
CID 4727980
methyl 5-[(4-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 4727987
ethyl 5-[(4-methylphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 4728026
methyl 2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)methylamino]benzoate
CID 162656590
methyl 2-hydroxy-5-[(4-morpholin-4-ylphenyl)methylamino]benzoate
CID 90117734
methyl 2-morpholin-4-yl-5-(naphthalen-1-ylmethylamino)benzoate
CID 2035033
5-[(4-methylphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 7325755
5-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-2-morpholin-4-ylbenzoic acid
CID 4727933
methyl 5-[(5-bromo-2-methoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 2039329
methyl 5-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate;hydrochloride
CID 163326508
methyl 5-[(2-ethoxy-3-methoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 3162062

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate?
The IUPAC name of methyl 5-[(4-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate (CID 2997066) is methyl 5-[(4-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate.
What is the SMILES notation for methyl 5-[(4-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate?
The canonical SMILES for methyl 5-[(4-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate is COC(=O)c1cc(NCc2ccc(F)cc2)ccc1N1CCOCC1.
What is the InChIKey of methyl 5-[(4-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate?
The InChIKey is ZADHQCHUIMFHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-24-19(23)17-12-16(21-13-14-2-4-15(20)5-3-14)6-7-18(17)22-8-10-25-11-9-22/h2-7,12,21H,8-11,13H2,1H3.
What are the key properties of methyl 5-[(4-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate?
methyl 5-[(4-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-[(4-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate is sourced from PubChem (CID 2997066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).