[2-(2-fluoroanilino)-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate

C20H21FN2O4 — CID 7769445

IUPAC[2-(2-fluoroanilino)-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
SMILESO=C(COC(=O)c1ccc(CN2CCOCC2)cc1)Nc1ccccc1F
InChIInChI=1S/C20H21FN2O4/c21-17-3-1-2-4-18(17)22-19(24)14-27-20(25)16-7-5-15(6-8-16)13-23-9-11-26-12-10-23/h1-8H,9-14H2,(H,22,24)
InChIKeyREDULIBKJPNUGF-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.45
Rot. Bonds6

About [2-(2-fluoroanilino)-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate

[2-(2-fluoroanilino)-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate (PubChem CID 7769445) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is [2-(2-fluoroanilino)-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate.

Molecular Properties

Compound Name[2-(2-fluoroanilino)-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
PubChem CID7769445
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name[2-(2-fluoroanilino)-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
SMILESO=C(COC(=O)c1ccc(CN2CCOCC2)cc1)Nc1ccccc1F
InChIInChI=1S/C20H21FN2O4/c21-17-3-1-2-4-18(17)22-19(24)14-27-20(25)16-7-5-15(6-8-16)13-23-9-11-26-12-10-23/h1-8H,9-14H2,(H,22,24)
InChIKeyREDULIBKJPNUGF-UHFFFAOYSA-N
XLogP2.45
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2-fluoroanilino)-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate 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

[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7769208
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-(morpholin-4-ylmethyl)benzoate
CID 7768866
[2-(2-fluoroanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7491309
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7768690
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7768832
N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7768483
(2-fluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724246
[2-(2-morpholin-4-ylanilino)-2-oxoethyl] 2-fluorobenzoate
CID 4626672
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-phenylbenzoate
CID 55530061
[2-(2-fluoroanilino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 16527076

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate?
The IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate (CID 7769445) is [2-(2-fluoroanilino)-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate.
What is the SMILES notation for [2-(2-fluoroanilino)-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate?
The canonical SMILES for [2-(2-fluoroanilino)-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate is O=C(COC(=O)c1ccc(CN2CCOCC2)cc1)Nc1ccccc1F.
What is the InChIKey of [2-(2-fluoroanilino)-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate?
The InChIKey is REDULIBKJPNUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c21-17-3-1-2-4-18(17)22-19(24)14-27-20(25)16-7-5-15(6-8-16)13-23-9-11-26-12-10-23/h1-8H,9-14H2,(H,22,24).
What are the key properties of [2-(2-fluoroanilino)-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate?
[2-(2-fluoroanilino)-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate has a molecular weight of 372.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoroanilino)-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate is sourced from PubChem (CID 7769445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).