methyl 5-[[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]amino]-2-fluorobenzoate

C16H21FN2O4 — CID 95586043

IUPACmethyl 5-[[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]amino]-2-fluorobenzoate
SMILESCC[C@@H]1CN(C(=O)CNc2ccc(F)c(C(=O)OC)c2)CCO1
InChIInChI=1S/C16H21FN2O4/c1-3-12-10-19(6-7-23-12)15(20)9-18-11-4-5-14(17)13(8-11)16(21)22-2/h4-5,8,12,18H,3,6-7,9-10H2,1-2H3/t12-/m1/s1
InChIKeyYICNHISWKAQUOQ-GFCCVEGCSA-N
MW324.35 g/mol
LogP1.66
Rot. Bonds5

About methyl 5-[[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]amino]-2-fluorobenzoate

methyl 5-[[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]amino]-2-fluorobenzoate (PubChem CID 95586043) has the molecular formula C16H21FN2O4 and a molecular weight of 324.35 g/mol. Its IUPAC name is methyl 5-[[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]amino]-2-fluorobenzoate.

Molecular Properties

Compound Namemethyl 5-[[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]amino]-2-fluorobenzoate
PubChem CID95586043
Molecular FormulaC16H21FN2O4
Molecular Weight324.35 g/mol
Exact Mass324.15
IUPAC Namemethyl 5-[[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]amino]-2-fluorobenzoate
SMILESCC[C@@H]1CN(C(=O)CNc2ccc(F)c(C(=O)OC)c2)CCO1
InChIInChI=1S/C16H21FN2O4/c1-3-12-10-19(6-7-23-12)15(20)9-18-11-4-5-14(17)13(8-11)16(21)22-2/h4-5,8,12,18H,3,6-7,9-10H2,1-2H3/t12-/m1/s1
InChIKeyYICNHISWKAQUOQ-GFCCVEGCSA-N
XLogP1.66
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]amino]-2-fluorobenzoate with MolForge

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Related Compounds

methyl 5-[[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]amino]-2-fluorobenzoate
CID 39998775
(5-chloro-2-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 60733638
methyl 4-[[(2R)-2-ethylmorpholine-4-carbonyl]amino]benzoate
CID 94878692
methyl 4-[[(2S)-2-ethylmorpholine-4-carbonyl]amino]benzoate
CID 95160013
methyl 5-[[(2S)-2-[(dimethylamino)methyl]morpholine-4-carbonyl]amino]-2,4-difluorobenzoate
CID 97060693
methyl 4-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]benzoate
CID 56785300
methyl 5-(2-ethylbutylamino)-2-fluorobenzoate
CID 43715399
[(2R)-2-ethylmorpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 51934437
methyl 2-fluoro-5-(2-methylbutylamino)benzoate
CID 43715350
methyl 2-fluoro-5-(pentylamino)benzoate
CID 43715336
[5-chloro-2-(ethylamino)phenyl]-(2-ethylmorpholin-4-yl)methanone
CID 62169229
N-[(1R)-1-(2,6-difluorophenyl)-3-[(2R)-2-ethylmorpholin-4-yl]-3-oxopropyl]acetamide
CID 95174002

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]amino]-2-fluorobenzoate?
The IUPAC name of methyl 5-[[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]amino]-2-fluorobenzoate (CID 95586043) is methyl 5-[[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]amino]-2-fluorobenzoate.
What is the SMILES notation for methyl 5-[[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]amino]-2-fluorobenzoate?
The canonical SMILES for methyl 5-[[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]amino]-2-fluorobenzoate is CC[C@@H]1CN(C(=O)CNc2ccc(F)c(C(=O)OC)c2)CCO1.
What is the InChIKey of methyl 5-[[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]amino]-2-fluorobenzoate?
The InChIKey is YICNHISWKAQUOQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21FN2O4/c1-3-12-10-19(6-7-23-12)15(20)9-18-11-4-5-14(17)13(8-11)16(21)22-2/h4-5,8,12,18H,3,6-7,9-10H2,1-2H3/t12-/m1/s1.
What are the key properties of methyl 5-[[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]amino]-2-fluorobenzoate?
methyl 5-[[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]amino]-2-fluorobenzoate has a molecular weight of 324.35 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]amino]-2-fluorobenzoate is sourced from PubChem (CID 95586043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).