N-(3-fluorophenyl)-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide

C17H17FN4O4 — CID 4966557

IUPACN-(3-fluorophenyl)-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H17FN4O4/c1-21(10-16(23)19-13-6-4-5-12(18)9-13)11-17(24)20-14-7-2-3-8-15(14)22(25)26/h2-9H,10-11H2,1H3,(H,19,23)(H,20,24)
InChIKeyNFGYNUABZFTVDA-UHFFFAOYSA-N
MW360.35 g/mol
LogP2.24
Rot. Bonds7

About N-(3-fluorophenyl)-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide

N-(3-fluorophenyl)-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide (PubChem CID 4966557) has the molecular formula C17H17FN4O4 and a molecular weight of 360.35 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide
PubChem CID4966557
Molecular FormulaC17H17FN4O4
Molecular Weight360.35 g/mol
Exact Mass360.12
IUPAC NameN-(3-fluorophenyl)-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H17FN4O4/c1-21(10-16(23)19-13-6-4-5-12(18)9-13)11-17(24)20-14-7-2-3-8-15(14)22(25)26/h2-9H,10-11H2,1H3,(H,19,23)(H,20,24)
InChIKeyNFGYNUABZFTVDA-UHFFFAOYSA-N
XLogP2.24
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
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

2'-Nitroacetanilide
CID 11090
2-[(4-fluorobenzyl)amino]-N-(2-nitrophenyl)acetamide
CID 4187904
N-(4-fluoro-2-nitrophenyl)-2,2-dimethylpropanamide
CID 2798283
Mls003115369
CID 319495
4'-Fluoro-2'-nitroacetanilide
CID 136289
Cyclopropanecarboxylic acid {1-[(2-nitro-phenylcarbamoyl)-methyl]-piperidin-4-yl}-amide
CID 3220823
2-[benzyl(methyl)amino]-N-(4-fluoro-2-nitrophenyl)acetamide
CID 4556994
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-N'-(2-nitrophenyl)urea
CID 16193635
Acetanilide, 2-(diethylamino)-4'-nitro-
CID 53122
4-(4-Fluorophenyl)-N-(2-nitrophenyl)-1-piperazineacetamide
CID 4160800
Marfey's reagent
CID 5486955
2-[[2-(3-fluoroanilino)-2-oxo-ethyl]-methyl-amino]-N-(3-nitrophenyl)acetamide
CID 2549212

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide (CID 4966557) is N-(3-fluorophenyl)-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide is CN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(3-fluorophenyl)-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide?
The InChIKey is NFGYNUABZFTVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O4/c1-21(10-16(23)19-13-6-4-5-12(18)9-13)11-17(24)20-14-7-2-3-8-15(14)22(25)26/h2-9H,10-11H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N-(3-fluorophenyl)-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide?
N-(3-fluorophenyl)-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide has a molecular weight of 360.35 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 4966557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).