methyl 2-[(2-fluoro-5-nitrobenzoyl)-methylamino]acetate

C11H11FN2O5 — CID 43377543

IUPACmethyl 2-[(2-fluoro-5-nitrobenzoyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C11H11FN2O5/c1-13(6-10(15)19-2)11(16)8-5-7(14(17)18)3-4-9(8)12/h3-5H,6H2,1-2H3
InChIKeyHYVCMHODXRBHNA-UHFFFAOYSA-N
MW270.22 g/mol
LogP0.98
Rot. Bonds4

About methyl 2-[(2-fluoro-5-nitrobenzoyl)-methylamino]acetate

methyl 2-[(2-fluoro-5-nitrobenzoyl)-methylamino]acetate (PubChem CID 43377543) has the molecular formula C11H11FN2O5 and a molecular weight of 270.22 g/mol. Its IUPAC name is methyl 2-[(2-fluoro-5-nitrobenzoyl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-fluoro-5-nitrobenzoyl)-methylamino]acetate
PubChem CID43377543
Molecular FormulaC11H11FN2O5
Molecular Weight270.22 g/mol
Exact Mass270.07
IUPAC Namemethyl 2-[(2-fluoro-5-nitrobenzoyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C11H11FN2O5/c1-13(6-10(15)19-2)11(16)8-5-7(14(17)18)3-4-9(8)12/h3-5H,6H2,1-2H3
InChIKeyHYVCMHODXRBHNA-UHFFFAOYSA-N
XLogP0.98
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2-methoxy-5-nitrobenzoyl)-methylamino]acetate
CID 43407682
methyl 2-[(2-fluoro-5-nitrobenzoyl)-propylamino]acetate
CID 61050888
2-fluoro-N-methyl-5-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 61041053
methyl 2-[(2,5-difluoro-4-nitrobenzoyl)-methylamino]acetate
CID 115880321
3-[(2-fluoro-5-nitrobenzoyl)-methylamino]propanoic acid
CID 60989798
N-benzyl-2-fluoro-N-methyl-5-nitrobenzamide
CID 43377488
methyl 2-[methyl-(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]acetate
CID 43409764
2-fluoro-N-methyl-5-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63207742
methyl 2-[(2-chloro-5-nitropyridine-3-carbonyl)-methylamino]acetate
CID 114046355
methyl 2-[(4-chloro-2-fluorobenzoyl)-methylamino]acetate
CID 43408243
methyl 2-[(2-fluoro-4-nitrobenzoyl)-propan-2-ylamino]acetate
CID 61062540
2-fluoro-N-(2-methoxyethyl)-5-nitrobenzamide
CID 43377388

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-fluoro-5-nitrobenzoyl)-methylamino]acetate?
The IUPAC name of methyl 2-[(2-fluoro-5-nitrobenzoyl)-methylamino]acetate (CID 43377543) is methyl 2-[(2-fluoro-5-nitrobenzoyl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(2-fluoro-5-nitrobenzoyl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(2-fluoro-5-nitrobenzoyl)-methylamino]acetate is COC(=O)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of methyl 2-[(2-fluoro-5-nitrobenzoyl)-methylamino]acetate?
The InChIKey is HYVCMHODXRBHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O5/c1-13(6-10(15)19-2)11(16)8-5-7(14(17)18)3-4-9(8)12/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-[(2-fluoro-5-nitrobenzoyl)-methylamino]acetate?
methyl 2-[(2-fluoro-5-nitrobenzoyl)-methylamino]acetate has a molecular weight of 270.22 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-fluoro-5-nitrobenzoyl)-methylamino]acetate is sourced from PubChem (CID 43377543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).