2-(4-ethoxy-3-fluoroanilino)-N-methylpropanamide

C12H17FN2O2 — CID 113399730

IUPAC2-(4-ethoxy-3-fluoroanilino)-N-methylpropanamide
SMILESCCOc1ccc(NC(C)C(=O)NC)cc1F
InChIInChI=1S/C12H17FN2O2/c1-4-17-11-6-5-9(7-10(11)13)15-8(2)12(16)14-3/h5-8,15H,4H2,1-3H3,(H,14,16)
InChIKeyZLWGGZKXSRXMCM-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.77
Rot. Bonds5

About 2-(4-ethoxy-3-fluoroanilino)-N-methylpropanamide

2-(4-ethoxy-3-fluoroanilino)-N-methylpropanamide (PubChem CID 113399730) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-(4-ethoxy-3-fluoroanilino)-N-methylpropanamide.

Molecular Properties

Compound Name2-(4-ethoxy-3-fluoroanilino)-N-methylpropanamide
PubChem CID113399730
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name2-(4-ethoxy-3-fluoroanilino)-N-methylpropanamide
SMILESCCOc1ccc(NC(C)C(=O)NC)cc1F
InChIInChI=1S/C12H17FN2O2/c1-4-17-11-6-5-9(7-10(11)13)15-8(2)12(16)14-3/h5-8,15H,4H2,1-3H3,(H,14,16)
InChIKeyZLWGGZKXSRXMCM-UHFFFAOYSA-N
XLogP1.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide
CID 94643771
2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide
CID 71939087
2-bromo-N-(4-ethoxy-3-fluorophenyl)propanamide
CID 107905692
2-(4-ethoxyanilino)-N-methylpropanamide
CID 43085866
(2S)-2-amino-N-(4-ethoxy-3-fluorophenyl)-3-methylbutanamide
CID 113264021
2-(3-fluoro-4-methoxyanilino)-N-propylpropanamide
CID 43380767
2-(4-fluoro-3-methoxyanilino)-N-methylpropanamide
CID 114839350
4-ethoxy-3-fluoro-N-methylaniline
CID 68516738
1-(4-ethoxy-3-fluorophenyl)-3-propan-2-ylurea
CID 47307419
3-amino-N-(4-ethoxy-3-fluorophenyl)-2-methyl-3-sulfanylidenepropanamide
CID 113399765
methyl N-(4-ethoxy-3-fluorophenyl)carbamate
CID 110777389
4-[1-(4-ethoxy-3-fluoroanilino)ethyl]-3-fluorophenol
CID 107715391

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3-fluoroanilino)-N-methylpropanamide?
The IUPAC name of 2-(4-ethoxy-3-fluoroanilino)-N-methylpropanamide (CID 113399730) is 2-(4-ethoxy-3-fluoroanilino)-N-methylpropanamide.
What is the SMILES notation for 2-(4-ethoxy-3-fluoroanilino)-N-methylpropanamide?
The canonical SMILES for 2-(4-ethoxy-3-fluoroanilino)-N-methylpropanamide is CCOc1ccc(NC(C)C(=O)NC)cc1F.
What is the InChIKey of 2-(4-ethoxy-3-fluoroanilino)-N-methylpropanamide?
The InChIKey is ZLWGGZKXSRXMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-4-17-11-6-5-9(7-10(11)13)15-8(2)12(16)14-3/h5-8,15H,4H2,1-3H3,(H,14,16).
What are the key properties of 2-(4-ethoxy-3-fluoroanilino)-N-methylpropanamide?
2-(4-ethoxy-3-fluoroanilino)-N-methylpropanamide has a molecular weight of 240.28 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3-fluoroanilino)-N-methylpropanamide is sourced from PubChem (CID 113399730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).