2-(2-amino-5-ethoxy-4-fluoro-N-methylanilino)acetamide

C11H16FN3O2 — CID 63592682

IUPAC2-(2-amino-5-ethoxy-4-fluoro-N-methylanilino)acetamide
SMILESCCOc1cc(N(C)CC(N)=O)c(N)cc1F
InChIInChI=1S/C11H16FN3O2/c1-3-17-10-5-9(8(13)4-7(10)12)15(2)6-11(14)16/h4-5H,3,6,13H2,1-2H3,(H2,14,16)
InChIKeyUSQRBOJJRXJPSL-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.73
Rot. Bonds5

About 2-(2-amino-5-ethoxy-4-fluoro-N-methylanilino)acetamide

2-(2-amino-5-ethoxy-4-fluoro-N-methylanilino)acetamide (PubChem CID 63592682) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is 2-(2-amino-5-ethoxy-4-fluoro-N-methylanilino)acetamide.

Molecular Properties

Compound Name2-(2-amino-5-ethoxy-4-fluoro-N-methylanilino)acetamide
PubChem CID63592682
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC Name2-(2-amino-5-ethoxy-4-fluoro-N-methylanilino)acetamide
SMILESCCOc1cc(N(C)CC(N)=O)c(N)cc1F
InChIInChI=1S/C11H16FN3O2/c1-3-17-10-5-9(8(13)4-7(10)12)15(2)6-11(14)16/h4-5H,3,6,13H2,1-2H3,(H2,14,16)
InChIKeyUSQRBOJJRXJPSL-UHFFFAOYSA-N
XLogP0.73
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-fluoro-N-methyl-5-propoxyanilino)acetamide
CID 63592936
2-(2-amino-4-fluoro-N-methyl-5-propan-2-yloxyanilino)acetamide
CID 63592937
4-ethoxy-5-fluoro-2-N-methyl-2-N-propylbenzene-1,2-diamine
CID 63594460
4-ethoxy-5-fluoro-2-N-[(4-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 63592864
2-(2-amino-5-ethoxy-N-ethyl-4-fluoroanilino)-N-ethylacetamide
CID 63592696
2-[2-amino-5-ethoxy-4-fluoro-N-(2-hydroxyethyl)anilino]ethanol
CID 63593222
4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine
CID 63981601
4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine
CID 63594485
2-[2-amino-4-fluoro-N-(2-methylpropyl)-5-propoxyanilino]acetamide
CID 63591734
4-ethoxy-5-fluoro-2-N-methyl-2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 63592517
2-N-(2,4-dimethylphenyl)-4-ethoxy-5-fluoro-2-N-methylbenzene-1,2-diamine
CID 63594129
3-(2-amino-5-ethoxy-4-fluoroanilino)propanamide
CID 63594462

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-ethoxy-4-fluoro-N-methylanilino)acetamide?
The IUPAC name of 2-(2-amino-5-ethoxy-4-fluoro-N-methylanilino)acetamide (CID 63592682) is 2-(2-amino-5-ethoxy-4-fluoro-N-methylanilino)acetamide.
What is the SMILES notation for 2-(2-amino-5-ethoxy-4-fluoro-N-methylanilino)acetamide?
The canonical SMILES for 2-(2-amino-5-ethoxy-4-fluoro-N-methylanilino)acetamide is CCOc1cc(N(C)CC(N)=O)c(N)cc1F.
What is the InChIKey of 2-(2-amino-5-ethoxy-4-fluoro-N-methylanilino)acetamide?
The InChIKey is USQRBOJJRXJPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c1-3-17-10-5-9(8(13)4-7(10)12)15(2)6-11(14)16/h4-5H,3,6,13H2,1-2H3,(H2,14,16).
What are the key properties of 2-(2-amino-5-ethoxy-4-fluoro-N-methylanilino)acetamide?
2-(2-amino-5-ethoxy-4-fluoro-N-methylanilino)acetamide has a molecular weight of 241.27 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-ethoxy-4-fluoro-N-methylanilino)acetamide is sourced from PubChem (CID 63592682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).