methyl 4-fluoro-2-[(2-morpholin-2-ylacetyl)amino]benzoate

C14H17FN2O4 — CID 66428476

IUPACmethyl 4-fluoro-2-[(2-morpholin-2-ylacetyl)amino]benzoate
SMILESCOC(=O)c1ccc(F)cc1NC(=O)CC1CNCCO1
InChIInChI=1S/C14H17FN2O4/c1-20-14(19)11-3-2-9(15)6-12(11)17-13(18)7-10-8-16-4-5-21-10/h2-3,6,10,16H,4-5,7-8H2,1H3,(H,17,18)
InChIKeyODXRPMFFHWIXJX-UHFFFAOYSA-N
MW296.30 g/mol
LogP0.93
Rot. Bonds4

About methyl 4-fluoro-2-[(2-morpholin-2-ylacetyl)amino]benzoate

methyl 4-fluoro-2-[(2-morpholin-2-ylacetyl)amino]benzoate (PubChem CID 66428476) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is methyl 4-fluoro-2-[(2-morpholin-2-ylacetyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-2-[(2-morpholin-2-ylacetyl)amino]benzoate
PubChem CID66428476
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Namemethyl 4-fluoro-2-[(2-morpholin-2-ylacetyl)amino]benzoate
SMILESCOC(=O)c1ccc(F)cc1NC(=O)CC1CNCCO1
InChIInChI=1S/C14H17FN2O4/c1-20-14(19)11-3-2-9(15)6-12(11)17-13(18)7-10-8-16-4-5-21-10/h2-3,6,10,16H,4-5,7-8H2,1H3,(H,17,18)
InChIKeyODXRPMFFHWIXJX-UHFFFAOYSA-N
XLogP0.93
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-fluoro-2-methylphenyl)-2-morpholin-2-ylacetamide
CID 66432981
methyl 2-[(2-morpholin-2-ylacetyl)amino]benzoate
CID 66433003
N-(2-bromo-5-fluorophenyl)-2-morpholin-2-ylacetamide
CID 103808527
N-(2-chloro-5-fluorophenyl)-2-morpholin-2-ylacetamide
CID 113266175
N-(3,5-difluorophenyl)-2-morpholin-2-ylacetamide
CID 66433764
methyl 4-[(2-morpholin-2-ylacetyl)amino]benzoate;hydrochloride
CID 119671383
N-(4,5-dimethoxy-2-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119679107
1-(5-fluoro-2-methylphenyl)-2-morpholin-2-ylethanone
CID 116586161
4-methoxy-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid
CID 66429390
methyl 2-[(2-chloroacetyl)amino]-4-fluorobenzoate
CID 43701749
2-methyl-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid
CID 66434366
1-(2-chloro-5-fluorophenyl)-2-morpholin-2-ylethanone
CID 105396502

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-2-[(2-morpholin-2-ylacetyl)amino]benzoate?
The IUPAC name of methyl 4-fluoro-2-[(2-morpholin-2-ylacetyl)amino]benzoate (CID 66428476) is methyl 4-fluoro-2-[(2-morpholin-2-ylacetyl)amino]benzoate.
What is the SMILES notation for methyl 4-fluoro-2-[(2-morpholin-2-ylacetyl)amino]benzoate?
The canonical SMILES for methyl 4-fluoro-2-[(2-morpholin-2-ylacetyl)amino]benzoate is COC(=O)c1ccc(F)cc1NC(=O)CC1CNCCO1.
What is the InChIKey of methyl 4-fluoro-2-[(2-morpholin-2-ylacetyl)amino]benzoate?
The InChIKey is ODXRPMFFHWIXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-20-14(19)11-3-2-9(15)6-12(11)17-13(18)7-10-8-16-4-5-21-10/h2-3,6,10,16H,4-5,7-8H2,1H3,(H,17,18).
What are the key properties of methyl 4-fluoro-2-[(2-morpholin-2-ylacetyl)amino]benzoate?
methyl 4-fluoro-2-[(2-morpholin-2-ylacetyl)amino]benzoate has a molecular weight of 296.30 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-2-[(2-morpholin-2-ylacetyl)amino]benzoate is sourced from PubChem (CID 66428476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).