N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)acetamide

C11H14FN3O4 — CID 86802918

IUPACN-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)acetamide
SMILESCCNC(=O)CNc1cc(OC)c([N+](=O)[O-])cc1F
InChIInChI=1S/C11H14FN3O4/c1-3-13-11(16)6-14-8-5-10(19-2)9(15(17)18)4-7(8)12/h4-5,14H,3,6H2,1-2H3,(H,13,16)
InChIKeyOOCIIXAVPCPQBA-UHFFFAOYSA-N
MW271.25 g/mol
LogP1.29
Rot. Bonds6

About N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)acetamide

N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)acetamide (PubChem CID 86802918) has the molecular formula C11H14FN3O4 and a molecular weight of 271.25 g/mol. Its IUPAC name is N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)acetamide
PubChem CID86802918
Molecular FormulaC11H14FN3O4
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC NameN-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)acetamide
SMILESCCNC(=O)CNc1cc(OC)c([N+](=O)[O-])cc1F
InChIInChI=1S/C11H14FN3O4/c1-3-13-11(16)6-14-8-5-10(19-2)9(15(17)18)4-7(8)12/h4-5,14H,3,6H2,1-2H3,(H,13,16)
InChIKeyOOCIIXAVPCPQBA-UHFFFAOYSA-N
XLogP1.29
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 51.29
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'}

Analyze N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)-N-methylacetamide
CID 104925827
2-(2-fluoro-4-methylanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
CID 9100984
tert-butyl N-[2-(2-fluoro-5-methoxy-4-nitroanilino)ethyl]carbamate
CID 103883319
ethyl 3-(2-fluoro-5-methoxy-4-nitroanilino)propanoate
CID 107260005
1-N-(2-fluoro-5-methoxy-4-nitrophenyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 102809457
2-(4-bromo-5-fluoro-2-nitroanilino)-N-ethylacetamide
CID 66112618
2-fluoro-5-methoxy-4-nitro-N-(3-propoxypropyl)aniline
CID 107260361
2-(2-amino-4-fluoro-5-methoxyanilino)-N-ethylacetamide
CID 63600102
6-(2-fluoro-5-methoxy-4-nitroanilino)hexan-1-ol
CID 103918152
N-ethyl-2-(2,4,5-trifluoroanilino)acetamide
CID 62815913
4-(2-fluoro-5-methoxy-4-nitroanilino)-3-methylbutanoic acid
CID 107260046
2-fluoro-5-methoxy-N-(3-methoxypropyl)-4-nitroaniline
CID 103867385

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)acetamide?
The IUPAC name of N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)acetamide (CID 86802918) is N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)acetamide.
What is the SMILES notation for N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)acetamide?
The canonical SMILES for N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)acetamide is CCNC(=O)CNc1cc(OC)c([N+](=O)[O-])cc1F.
What is the InChIKey of N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)acetamide?
The InChIKey is OOCIIXAVPCPQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O4/c1-3-13-11(16)6-14-8-5-10(19-2)9(15(17)18)4-7(8)12/h4-5,14H,3,6H2,1-2H3,(H,13,16).
What are the key properties of N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)acetamide?
N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)acetamide has a molecular weight of 271.25 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)acetamide is sourced from PubChem (CID 86802918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).