(3-fluorophenyl)methyl 2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate

C20H21FN2O5 — CID 58933722

IUPAC(3-fluorophenyl)methyl 2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate
SMILESO=C(NCC1CN(C(=O)OCc2cccc(F)c2)CCO1)c1ccc(O)cc1
InChIInChI=1S/C20H21FN2O5/c21-16-3-1-2-14(10-16)13-28-20(26)23-8-9-27-18(12-23)11-22-19(25)15-4-6-17(24)7-5-15/h1-7,10,18,24H,8-9,11-13H2,(H,22,25)
InChIKeyBQOYMJCXSRHWCO-UHFFFAOYSA-N
MW388.40 g/mol
LogP2.30
Rot. Bonds5

About (3-fluorophenyl)methyl 2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate

(3-fluorophenyl)methyl 2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate (PubChem CID 58933722) has the molecular formula C20H21FN2O5 and a molecular weight of 388.40 g/mol. Its IUPAC name is (3-fluorophenyl)methyl 2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl 2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate
PubChem CID58933722
Molecular FormulaC20H21FN2O5
Molecular Weight388.40 g/mol
Exact Mass388.14
IUPAC Name(3-fluorophenyl)methyl 2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate
SMILESO=C(NCC1CN(C(=O)OCc2cccc(F)c2)CCO1)c1ccc(O)cc1
InChIInChI=1S/C20H21FN2O5/c21-16-3-1-2-14(10-16)13-28-20(26)23-8-9-27-18(12-23)11-22-19(25)15-4-6-17(24)7-5-15/h1-7,10,18,24H,8-9,11-13H2,(H,22,25)
InChIKeyBQOYMJCXSRHWCO-UHFFFAOYSA-N
XLogP2.30
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl 2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate?
The IUPAC name of (3-fluorophenyl)methyl 2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate (CID 58933722) is (3-fluorophenyl)methyl 2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate.
What is the SMILES notation for (3-fluorophenyl)methyl 2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate?
The canonical SMILES for (3-fluorophenyl)methyl 2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate is O=C(NCC1CN(C(=O)OCc2cccc(F)c2)CCO1)c1ccc(O)cc1.
What is the InChIKey of (3-fluorophenyl)methyl 2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate?
The InChIKey is BQOYMJCXSRHWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O5/c21-16-3-1-2-14(10-16)13-28-20(26)23-8-9-27-18(12-23)11-22-19(25)15-4-6-17(24)7-5-15/h1-7,10,18,24H,8-9,11-13H2,(H,22,25).
What are the key properties of (3-fluorophenyl)methyl 2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate?
(3-fluorophenyl)methyl 2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate has a molecular weight of 388.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl 2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 58933722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).