N-ethyl-2-(3-fluoro-2-nitroanilino)acetamide

C10H12FN3O3 — CID 60788724

IUPACN-ethyl-2-(3-fluoro-2-nitroanilino)acetamide
SMILESCCNC(=O)CNc1cccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C10H12FN3O3/c1-2-12-9(15)6-13-8-5-3-4-7(11)10(8)14(16)17/h3-5,13H,2,6H2,1H3,(H,12,15)
InChIKeyPTIDKZOQEIIACV-UHFFFAOYSA-N
MW241.22 g/mol
LogP1.28
Rot. Bonds5

About N-ethyl-2-(3-fluoro-2-nitroanilino)acetamide

N-ethyl-2-(3-fluoro-2-nitroanilino)acetamide (PubChem CID 60788724) has the molecular formula C10H12FN3O3 and a molecular weight of 241.22 g/mol. Its IUPAC name is N-ethyl-2-(3-fluoro-2-nitroanilino)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-fluoro-2-nitroanilino)acetamide
PubChem CID60788724
Molecular FormulaC10H12FN3O3
Molecular Weight241.22 g/mol
Exact Mass241.09
IUPAC NameN-ethyl-2-(3-fluoro-2-nitroanilino)acetamide
SMILESCCNC(=O)CNc1cccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C10H12FN3O3/c1-2-12-9(15)6-13-8-5-3-4-7(11)10(8)14(16)17/h3-5,13H,2,6H2,1H3,(H,12,15)
InChIKeyPTIDKZOQEIIACV-UHFFFAOYSA-N
XLogP1.28
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 51.28
H-Bond Donors ≤ 52
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-(3-cyano-2-nitroanilino)-N-ethylacetamide
CID 104717679
2-(3-fluoro-2-nitroanilino)-N,N-dimethylacetamide
CID 60789586
N-cyclopropyl-2-[3-(ethylamino)-2-nitroanilino]acetamide
CID 80792309
2-(4-bromo-5-fluoro-2-nitroanilino)-N-ethylacetamide
CID 66112618
1-N,3-N-diethyl-2-nitrobenzene-1,3-diamine
CID 45118197
2-(3-chloro-2-nitroanilino)-N-(2-methylpropyl)acetamide
CID 104836081
ethyl 4-(3-fluoro-2-nitroanilino)butanoate
CID 64575091
N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)acetamide
CID 86802918
2-(3-fluoro-2-nitroanilino)propan-1-ol
CID 60789950
3-amino-4-(3-fluoro-2-nitroanilino)butan-2-ol
CID 64541514
N'-ethyl-N-(3-fluoro-2-nitrophenyl)-N'-methylethane-1,2-diamine
CID 62641440
2-(2,4-dinitroanilino)-N-ethylacetamide
CID 60653895

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-fluoro-2-nitroanilino)acetamide?
The IUPAC name of N-ethyl-2-(3-fluoro-2-nitroanilino)acetamide (CID 60788724) is N-ethyl-2-(3-fluoro-2-nitroanilino)acetamide.
What is the SMILES notation for N-ethyl-2-(3-fluoro-2-nitroanilino)acetamide?
The canonical SMILES for N-ethyl-2-(3-fluoro-2-nitroanilino)acetamide is CCNC(=O)CNc1cccc(F)c1[N+](=O)[O-].
What is the InChIKey of N-ethyl-2-(3-fluoro-2-nitroanilino)acetamide?
The InChIKey is PTIDKZOQEIIACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O3/c1-2-12-9(15)6-13-8-5-3-4-7(11)10(8)14(16)17/h3-5,13H,2,6H2,1H3,(H,12,15).
What are the key properties of N-ethyl-2-(3-fluoro-2-nitroanilino)acetamide?
N-ethyl-2-(3-fluoro-2-nitroanilino)acetamide has a molecular weight of 241.22 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-fluoro-2-nitroanilino)acetamide is sourced from PubChem (CID 60788724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).