2-(2-amino-4-fluoro-5-methoxyanilino)-N-ethylacetamide

C11H16FN3O2 — CID 63600102

IUPAC2-(2-amino-4-fluoro-5-methoxyanilino)-N-ethylacetamide
SMILESCCNC(=O)CNc1cc(OC)c(F)cc1N
InChIInChI=1S/C11H16FN3O2/c1-3-14-11(16)6-15-9-5-10(17-2)7(12)4-8(9)13/h4-5,15H,3,6,13H2,1-2H3,(H,14,16)
InChIKeyAOZXZUYPRBSHMV-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.96
Rot. Bonds5

About 2-(2-amino-4-fluoro-5-methoxyanilino)-N-ethylacetamide

2-(2-amino-4-fluoro-5-methoxyanilino)-N-ethylacetamide (PubChem CID 63600102) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is 2-(2-amino-4-fluoro-5-methoxyanilino)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-fluoro-5-methoxyanilino)-N-ethylacetamide
PubChem CID63600102
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC Name2-(2-amino-4-fluoro-5-methoxyanilino)-N-ethylacetamide
SMILESCCNC(=O)CNc1cc(OC)c(F)cc1N
InChIInChI=1S/C11H16FN3O2/c1-3-14-11(16)6-15-9-5-10(17-2)7(12)4-8(9)13/h4-5,15H,3,6,13H2,1-2H3,(H,14,16)
InChIKeyAOZXZUYPRBSHMV-UHFFFAOYSA-N
XLogP0.96
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-5-fluoroanilino)-N-ethylacetamide
CID 62377991
N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)acetamide
CID 86802918
2-(4-amino-2-fluoro-5-methoxyanilino)-N-tert-butylacetamide
CID 107259478
1-N-(2,2-dimethylbutyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 103460154
2-(2-amino-4-chloroanilino)-N-ethylacetamide
CID 43566811
N-ethyl-2-(2,4,5-trifluoroanilino)acetamide
CID 62815913
4-fluoro-5-methoxy-1-N-(2-methylbutyl)benzene-1,2-diamine
CID 63597325
4-(2-amino-4-fluoro-5-methoxyanilino)butan-1-ol
CID 106840294
2-(2-amino-4,5-dimethoxyanilino)acetamide
CID 83001750
methyl 2-(2-amino-4,5-dimethoxyanilino)acetate
CID 83001432
2-[(2-amino-4-fluoro-5-methoxyanilino)methyl]-2-ethylbutan-1-ol
CID 106251260
4-fluoro-5-methoxy-1-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine
CID 104758804

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluoro-5-methoxyanilino)-N-ethylacetamide?
The IUPAC name of 2-(2-amino-4-fluoro-5-methoxyanilino)-N-ethylacetamide (CID 63600102) is 2-(2-amino-4-fluoro-5-methoxyanilino)-N-ethylacetamide.
What is the SMILES notation for 2-(2-amino-4-fluoro-5-methoxyanilino)-N-ethylacetamide?
The canonical SMILES for 2-(2-amino-4-fluoro-5-methoxyanilino)-N-ethylacetamide is CCNC(=O)CNc1cc(OC)c(F)cc1N.
What is the InChIKey of 2-(2-amino-4-fluoro-5-methoxyanilino)-N-ethylacetamide?
The InChIKey is AOZXZUYPRBSHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c1-3-14-11(16)6-15-9-5-10(17-2)7(12)4-8(9)13/h4-5,15H,3,6,13H2,1-2H3,(H,14,16).
What are the key properties of 2-(2-amino-4-fluoro-5-methoxyanilino)-N-ethylacetamide?
2-(2-amino-4-fluoro-5-methoxyanilino)-N-ethylacetamide has a molecular weight of 241.27 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluoro-5-methoxyanilino)-N-ethylacetamide is sourced from PubChem (CID 63600102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).