2-(2-amino-5-ethoxy-N-ethyl-4-fluoroanilino)-N-ethylacetamide

C14H22FN3O2 — CID 63592696

IUPAC2-(2-amino-5-ethoxy-N-ethyl-4-fluoroanilino)-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1cc(OCC)c(F)cc1N
InChIInChI=1S/C14H22FN3O2/c1-4-17-14(19)9-18(5-2)12-8-13(20-6-3)10(15)7-11(12)16/h7-8H,4-6,9,16H2,1-3H3,(H,17,19)
InChIKeyYDBNNYFELSLGPK-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.77
Rot. Bonds7

About 2-(2-amino-5-ethoxy-N-ethyl-4-fluoroanilino)-N-ethylacetamide

2-(2-amino-5-ethoxy-N-ethyl-4-fluoroanilino)-N-ethylacetamide (PubChem CID 63592696) has the molecular formula C14H22FN3O2 and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(2-amino-5-ethoxy-N-ethyl-4-fluoroanilino)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-ethoxy-N-ethyl-4-fluoroanilino)-N-ethylacetamide
PubChem CID63592696
Molecular FormulaC14H22FN3O2
Molecular Weight283.35 g/mol
Exact Mass283.17
IUPAC Name2-(2-amino-5-ethoxy-N-ethyl-4-fluoroanilino)-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1cc(OCC)c(F)cc1N
InChIInChI=1S/C14H22FN3O2/c1-4-17-14(19)9-18(5-2)12-8-13(20-6-3)10(15)7-11(12)16/h7-8H,4-6,9,16H2,1-3H3,(H,17,19)
InChIKeyYDBNNYFELSLGPK-UHFFFAOYSA-N
XLogP1.77
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.77
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-5-ethoxy-4-fluoro-N-(2-hydroxyethyl)anilino]ethanol
CID 63593222
2-(2-amino-5-ethoxy-4-fluoro-N-methylanilino)acetamide
CID 63592682
2-(4-amino-N-ethyl-2-fluoroanilino)-N-ethylacetamide
CID 54986995
2-(2-amino-N-ethyl-3-fluoroanilino)-N-ethylacetamide
CID 54986511
2-(2-amino-N-ethyl-4-methylanilino)-N-ethylacetamide
CID 54987046
3-amino-4-ethoxy-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 61107770
2-(2-amino-5-chloro-4-fluoro-N-methylanilino)-N-ethylacetamide
CID 114088970
4-ethoxy-5-fluoro-2-N-methyl-2-N-propylbenzene-1,2-diamine
CID 63594460
2-[(5-amino-7-fluoroquinolin-8-yl)-ethylamino]-N-ethylacetamide
CID 83165492
2-(2-amino-4-chloro-N-ethyl-5-fluoroanilino)-N-methylacetamide
CID 66079546
2-(2-amino-N-ethyl-4-nitroanilino)-N-ethylacetamide
CID 62508624
4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine
CID 63981601

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-ethoxy-N-ethyl-4-fluoroanilino)-N-ethylacetamide?
The IUPAC name of 2-(2-amino-5-ethoxy-N-ethyl-4-fluoroanilino)-N-ethylacetamide (CID 63592696) is 2-(2-amino-5-ethoxy-N-ethyl-4-fluoroanilino)-N-ethylacetamide.
What is the SMILES notation for 2-(2-amino-5-ethoxy-N-ethyl-4-fluoroanilino)-N-ethylacetamide?
The canonical SMILES for 2-(2-amino-5-ethoxy-N-ethyl-4-fluoroanilino)-N-ethylacetamide is CCNC(=O)CN(CC)c1cc(OCC)c(F)cc1N.
What is the InChIKey of 2-(2-amino-5-ethoxy-N-ethyl-4-fluoroanilino)-N-ethylacetamide?
The InChIKey is YDBNNYFELSLGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2/c1-4-17-14(19)9-18(5-2)12-8-13(20-6-3)10(15)7-11(12)16/h7-8H,4-6,9,16H2,1-3H3,(H,17,19).
What are the key properties of 2-(2-amino-5-ethoxy-N-ethyl-4-fluoroanilino)-N-ethylacetamide?
2-(2-amino-5-ethoxy-N-ethyl-4-fluoroanilino)-N-ethylacetamide has a molecular weight of 283.35 g/mol, XLogP of 1.77, 7 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-N-ethyl-4-fluoroanilino)-N-ethylacetamide is sourced from PubChem (CID 63592696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).