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

C20H20ClFN2O5 — CID 69418707

IUPAC(4-fluorophenyl)methyl 2-[[(2-chloro-4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate
SMILESO=C(NCC1CN(C(=O)OCc2ccc(F)cc2)CCO1)c1ccc(O)cc1Cl
InChIInChI=1S/C20H20ClFN2O5/c21-18-9-15(25)5-6-17(18)19(26)23-10-16-11-24(7-8-28-16)20(27)29-12-13-1-3-14(22)4-2-13/h1-6,9,16,25H,7-8,10-12H2,(H,23,26)
InChIKeyUDIMPLWJBMKFNR-UHFFFAOYSA-N
MW422.84 g/mol
LogP2.95
Rot. Bonds5

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

(4-fluorophenyl)methyl 2-[[(2-chloro-4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate (PubChem CID 69418707) has the molecular formula C20H20ClFN2O5 and a molecular weight of 422.84 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 2-[[(2-chloro-4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 2-[[(2-chloro-4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate
PubChem CID69418707
Molecular FormulaC20H20ClFN2O5
Molecular Weight422.84 g/mol
Exact Mass422.10
IUPAC Name(4-fluorophenyl)methyl 2-[[(2-chloro-4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate
SMILESO=C(NCC1CN(C(=O)OCc2ccc(F)cc2)CCO1)c1ccc(O)cc1Cl
InChIInChI=1S/C20H20ClFN2O5/c21-18-9-15(25)5-6-17(18)19(26)23-10-16-11-24(7-8-28-16)20(27)29-12-13-1-3-14(22)4-2-13/h1-6,9,16,25H,7-8,10-12H2,(H,23,26)
InChIKeyUDIMPLWJBMKFNR-UHFFFAOYSA-N
XLogP2.95
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.84
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4-fluorophenyl)methyl 2-[[(2-chloro-4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate with MolForge

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Related Compounds

(4-fluorophenyl)methyl (7R)-7-[[(4-hydroxybenzoyl)amino]methyl]-1,4-oxazepane-4-carboxylate
CID 58933863
(3-fluorophenyl)methyl 2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate
CID 58933722
(4-phenylphenyl)methyl (2R)-2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate
CID 58933856
N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2,5-dihydroxybenzamide
CID 126678400
(4-methylphenyl)methyl (2R)-2-[[(3-bromo-4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate
CID 142177000
ethyl 2-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]morpholine-4-carboxylate
CID 14877396
benzyl 2-[(oxan-4-ylmethylamino)methyl]morpholine-4-carboxylate
CID 107255000
benzyl (2R)-2-ethylmorpholine-4-carboxylate
CID 164672406
4-chloro-2-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 24642416
4-amino-5-chloro-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2-(3-methylbut-2-enoxy)benzamide
CID 14881964
benzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate
CID 107254724
4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoyl]morpholine-2-carboxamide
CID 49417471

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 2-[[(2-chloro-4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate?
The IUPAC name of (4-fluorophenyl)methyl 2-[[(2-chloro-4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate (CID 69418707) is (4-fluorophenyl)methyl 2-[[(2-chloro-4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate.
What is the SMILES notation for (4-fluorophenyl)methyl 2-[[(2-chloro-4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate?
The canonical SMILES for (4-fluorophenyl)methyl 2-[[(2-chloro-4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate is O=C(NCC1CN(C(=O)OCc2ccc(F)cc2)CCO1)c1ccc(O)cc1Cl.
What is the InChIKey of (4-fluorophenyl)methyl 2-[[(2-chloro-4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate?
The InChIKey is UDIMPLWJBMKFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O5/c21-18-9-15(25)5-6-17(18)19(26)23-10-16-11-24(7-8-28-16)20(27)29-12-13-1-3-14(22)4-2-13/h1-6,9,16,25H,7-8,10-12H2,(H,23,26).
What are the key properties of (4-fluorophenyl)methyl 2-[[(2-chloro-4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate?
(4-fluorophenyl)methyl 2-[[(2-chloro-4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate has a molecular weight of 422.84 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 2-[[(2-chloro-4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 69418707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).