5-[2-(2-ethoxyethoxy)propanoylamino]-2-fluoro-N-methylbenzamide

C15H21FN2O4 — CID 49176751

IUPAC5-[2-(2-ethoxyethoxy)propanoylamino]-2-fluoro-N-methylbenzamide
SMILESCCOCCOC(C)C(=O)Nc1ccc(F)c(C(=O)NC)c1
InChIInChI=1S/C15H21FN2O4/c1-4-21-7-8-22-10(2)14(19)18-11-5-6-13(16)12(9-11)15(20)17-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyIAWUIIWMDPKHKS-UHFFFAOYSA-N
MW312.34 g/mol
LogP1.57
Rot. Bonds8

About 5-[2-(2-ethoxyethoxy)propanoylamino]-2-fluoro-N-methylbenzamide

5-[2-(2-ethoxyethoxy)propanoylamino]-2-fluoro-N-methylbenzamide (PubChem CID 49176751) has the molecular formula C15H21FN2O4 and a molecular weight of 312.34 g/mol. Its IUPAC name is 5-[2-(2-ethoxyethoxy)propanoylamino]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name5-[2-(2-ethoxyethoxy)propanoylamino]-2-fluoro-N-methylbenzamide
PubChem CID49176751
Molecular FormulaC15H21FN2O4
Molecular Weight312.34 g/mol
Exact Mass312.15
IUPAC Name5-[2-(2-ethoxyethoxy)propanoylamino]-2-fluoro-N-methylbenzamide
SMILESCCOCCOC(C)C(=O)Nc1ccc(F)c(C(=O)NC)c1
InChIInChI=1S/C15H21FN2O4/c1-4-21-7-8-22-10(2)14(19)18-11-5-6-13(16)12(9-11)15(20)17-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyIAWUIIWMDPKHKS-UHFFFAOYSA-N
XLogP1.57
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(cyclopropylmethoxy)propanoylamino]-2-fluoro-N-methylbenzamide
CID 49176640
2-(2-ethoxyethoxy)-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 47078303
N-(3-amino-4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560272
N-(2,4-difluorophenyl)-2-(2-ethoxyethoxy)propanamide
CID 60546289
(2R)-2-(2-ethoxyethoxy)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide
CID 94675288
(2R)-2-(2-ethoxyethoxy)-N-(1-ethylindol-5-yl)propanamide
CID 94389998
(2S)-2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 94033094
N-(4-amino-2,6-dichlorophenyl)-2-(2-ethoxyethoxy)propanamide
CID 43093302
5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-fluoro-N-methylbenzamide
CID 96533531
(2S)-2-(2-ethoxyethoxy)-N-(4-imidazol-1-ylphenyl)propanamide
CID 94678339
N-(3-carbamothioyl-4-fluorophenyl)-2-methylbutanamide
CID 55057586
5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-fluoro-N-methylbenzamide
CID 49285829

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-ethoxyethoxy)propanoylamino]-2-fluoro-N-methylbenzamide?
The IUPAC name of 5-[2-(2-ethoxyethoxy)propanoylamino]-2-fluoro-N-methylbenzamide (CID 49176751) is 5-[2-(2-ethoxyethoxy)propanoylamino]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 5-[2-(2-ethoxyethoxy)propanoylamino]-2-fluoro-N-methylbenzamide?
The canonical SMILES for 5-[2-(2-ethoxyethoxy)propanoylamino]-2-fluoro-N-methylbenzamide is CCOCCOC(C)C(=O)Nc1ccc(F)c(C(=O)NC)c1.
What is the InChIKey of 5-[2-(2-ethoxyethoxy)propanoylamino]-2-fluoro-N-methylbenzamide?
The InChIKey is IAWUIIWMDPKHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O4/c1-4-21-7-8-22-10(2)14(19)18-11-5-6-13(16)12(9-11)15(20)17-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 5-[2-(2-ethoxyethoxy)propanoylamino]-2-fluoro-N-methylbenzamide?
5-[2-(2-ethoxyethoxy)propanoylamino]-2-fluoro-N-methylbenzamide has a molecular weight of 312.34 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-ethoxyethoxy)propanoylamino]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 49176751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).