methyl 2-[(2-amino-5-fluorobenzoyl)-ethylamino]acetate

C12H15FN2O3 — CID 54998021

IUPACmethyl 2-[(2-amino-5-fluorobenzoyl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1cc(F)ccc1N
InChIInChI=1S/C12H15FN2O3/c1-3-15(7-11(16)18-2)12(17)9-6-8(13)4-5-10(9)14/h4-6H,3,7,14H2,1-2H3
InChIKeyHNFGBMWJSQLWTE-UHFFFAOYSA-N
MW254.26 g/mol
LogP1.04
Rot. Bonds4

About methyl 2-[(2-amino-5-fluorobenzoyl)-ethylamino]acetate

methyl 2-[(2-amino-5-fluorobenzoyl)-ethylamino]acetate (PubChem CID 54998021) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is methyl 2-[(2-amino-5-fluorobenzoyl)-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-5-fluorobenzoyl)-ethylamino]acetate
PubChem CID54998021
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Namemethyl 2-[(2-amino-5-fluorobenzoyl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1cc(F)ccc1N
InChIInChI=1S/C12H15FN2O3/c1-3-15(7-11(16)18-2)12(17)9-6-8(13)4-5-10(9)14/h4-6H,3,7,14H2,1-2H3
InChIKeyHNFGBMWJSQLWTE-UHFFFAOYSA-N
XLogP1.04
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2-chloro-4-fluorobenzoyl)-ethylamino]acetate
CID 54979189
2-amino-N-ethyl-5-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79384161
2-amino-N-(2-ethoxyethyl)-N-ethyl-5-fluorobenzamide
CID 63698396
methyl 2-[(5-fluoro-2-methylbenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 63047935
ethyl 2-[ethyl-(5-fluoro-2-methylbenzoyl)amino]acetate
CID 61073584
methyl 2-[(2-amino-5-chlorobenzoyl)-propylamino]acetate
CID 61109430
methyl 2-[ethyl-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 61383254
methyl 2-[(2,4-dimethylbenzoyl)-ethylamino]acetate
CID 54979100
methyl 2-[(2-bromofuran-3-carbonyl)-ethylamino]acetate
CID 106853790
2-amino-N-butan-2-yl-N-ethyl-5-fluorobenzamide
CID 43274590
2-amino-N-(2-amino-2-oxoethyl)-5-fluoro-N-(2-methylpropyl)benzamide
CID 60962629
2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride
CID 75414598

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-5-fluorobenzoyl)-ethylamino]acetate?
The IUPAC name of methyl 2-[(2-amino-5-fluorobenzoyl)-ethylamino]acetate (CID 54998021) is methyl 2-[(2-amino-5-fluorobenzoyl)-ethylamino]acetate.
What is the SMILES notation for methyl 2-[(2-amino-5-fluorobenzoyl)-ethylamino]acetate?
The canonical SMILES for methyl 2-[(2-amino-5-fluorobenzoyl)-ethylamino]acetate is CCN(CC(=O)OC)C(=O)c1cc(F)ccc1N.
What is the InChIKey of methyl 2-[(2-amino-5-fluorobenzoyl)-ethylamino]acetate?
The InChIKey is HNFGBMWJSQLWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-3-15(7-11(16)18-2)12(17)9-6-8(13)4-5-10(9)14/h4-6H,3,7,14H2,1-2H3.
What are the key properties of methyl 2-[(2-amino-5-fluorobenzoyl)-ethylamino]acetate?
methyl 2-[(2-amino-5-fluorobenzoyl)-ethylamino]acetate has a molecular weight of 254.26 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-5-fluorobenzoyl)-ethylamino]acetate is sourced from PubChem (CID 54998021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).