N-(2-amino-2-oxoethyl)-N-ethyl-2,5-difluoro-4-nitrobenzamide

C11H11F2N3O4 — CID 103101728

IUPACN-(2-amino-2-oxoethyl)-N-ethyl-2,5-difluoro-4-nitrobenzamide
SMILESCCN(CC(N)=O)C(=O)c1cc(F)c([N+](=O)[O-])cc1F
InChIInChI=1S/C11H11F2N3O4/c1-2-15(5-10(14)17)11(18)6-3-8(13)9(16(19)20)4-7(6)12/h3-4H,2,5H2,1H3,(H2,14,17)
InChIKeyGIFKVZGTLGJNOV-UHFFFAOYSA-N
MW287.22 g/mol
LogP0.82
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-N-ethyl-2,5-difluoro-4-nitrobenzamide

N-(2-amino-2-oxoethyl)-N-ethyl-2,5-difluoro-4-nitrobenzamide (PubChem CID 103101728) has the molecular formula C11H11F2N3O4 and a molecular weight of 287.22 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-ethyl-2,5-difluoro-4-nitrobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-ethyl-2,5-difluoro-4-nitrobenzamide
PubChem CID103101728
Molecular FormulaC11H11F2N3O4
Molecular Weight287.22 g/mol
Exact Mass287.07
IUPAC NameN-(2-amino-2-oxoethyl)-N-ethyl-2,5-difluoro-4-nitrobenzamide
SMILESCCN(CC(N)=O)C(=O)c1cc(F)c([N+](=O)[O-])cc1F
InChIInChI=1S/C11H11F2N3O4/c1-2-15(5-10(14)17)11(18)6-3-8(13)9(16(19)20)4-7(6)12/h3-4H,2,5H2,1H3,(H2,14,17)
InChIKeyGIFKVZGTLGJNOV-UHFFFAOYSA-N
XLogP0.82
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2,5-difluoro-N-(2-hydroxyethyl)-4-nitro-N-propylbenzamide
CID 115776617
2-[(2,4-difluoro-5-nitrobenzoyl)-propylamino]acetic acid
CID 61012887
methyl 2-[(2,5-difluoro-4-nitrobenzoyl)-methylamino]acetate
CID 115880321
2,5-difluoro-4-nitro-N-propan-2-yl-N-propylbenzamide
CID 104699252
N-ethyl-2,5-difluoro-N-(1-methoxypropan-2-yl)-4-nitrobenzamide
CID 104699298
5-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoro-3-methylbenzamide
CID 103296950
N,N-bis(2-amino-2-oxoethyl)-5-chloro-2-nitrobenzamide
CID 62923763
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2,5-difluoro-4-nitrobenzamide
CID 104583877
N-(2-amino-2-oxoethyl)-N-ethyl-2,3-difluorobenzamide
CID 103101747
N-tert-butyl-2,5-difluoro-4-nitro-N-prop-2-enylbenzamide
CID 104699476
N-(4-amino-4-oxobutan-2-yl)-2,5-difluoro-4-nitrobenzamide
CID 104705350
N-(2-aminoethyl)-N-ethyl-4-fluoro-2-nitrobenzamide
CID 114231088

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-ethyl-2,5-difluoro-4-nitrobenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-ethyl-2,5-difluoro-4-nitrobenzamide (CID 103101728) is N-(2-amino-2-oxoethyl)-N-ethyl-2,5-difluoro-4-nitrobenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-ethyl-2,5-difluoro-4-nitrobenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-ethyl-2,5-difluoro-4-nitrobenzamide is CCN(CC(N)=O)C(=O)c1cc(F)c([N+](=O)[O-])cc1F.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-ethyl-2,5-difluoro-4-nitrobenzamide?
The InChIKey is GIFKVZGTLGJNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O4/c1-2-15(5-10(14)17)11(18)6-3-8(13)9(16(19)20)4-7(6)12/h3-4H,2,5H2,1H3,(H2,14,17).
What are the key properties of N-(2-amino-2-oxoethyl)-N-ethyl-2,5-difluoro-4-nitrobenzamide?
N-(2-amino-2-oxoethyl)-N-ethyl-2,5-difluoro-4-nitrobenzamide has a molecular weight of 287.22 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-ethyl-2,5-difluoro-4-nitrobenzamide is sourced from PubChem (CID 103101728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).