N'-(3-fluorophenyl)-N-(2-methoxyethyl)propanediamide

C12H15FN2O3 — CID 108943203

IUPACN'-(3-fluorophenyl)-N-(2-methoxyethyl)propanediamide
SMILESCOCCNC(=O)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C12H15FN2O3/c1-18-6-5-14-11(16)8-12(17)15-10-4-2-3-9(13)7-10/h2-4,7H,5-6,8H2,1H3,(H,14,16)(H,15,17)
InChIKeyXHBAHIGETOXPEL-UHFFFAOYSA-N
MW254.26 g/mol
LogP0.92
Rot. Bonds6

About N'-(3-fluorophenyl)-N-(2-methoxyethyl)propanediamide

N'-(3-fluorophenyl)-N-(2-methoxyethyl)propanediamide (PubChem CID 108943203) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is N'-(3-fluorophenyl)-N-(2-methoxyethyl)propanediamide.

Molecular Properties

Compound NameN'-(3-fluorophenyl)-N-(2-methoxyethyl)propanediamide
PubChem CID108943203
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC NameN'-(3-fluorophenyl)-N-(2-methoxyethyl)propanediamide
SMILESCOCCNC(=O)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C12H15FN2O3/c1-18-6-5-14-11(16)8-12(17)15-10-4-2-3-9(13)7-10/h2-4,7H,5-6,8H2,1H3,(H,14,16)(H,15,17)
InChIKeyXHBAHIGETOXPEL-UHFFFAOYSA-N
XLogP0.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N'-(3-fluorophenyl)-N-(2-methoxyethyl)propanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N'-(3-fluorophenyl)propanediamide
CID 67472700
6-N-(3-fluorophenyl)-2-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095785
N-(3-fluorophenyl)-3-(3-methoxypropylamino)propanamide
CID 109015628
2-[(2S,3R,4S,5R)-5-[[(3-fluorophenyl)carbamoylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-(2-methoxyethyl)acetamide
CID 40781592
N'-(3,5-dimethylphenyl)-N-(2-methoxyethyl)propanediamide
CID 108943141
2-chloro-N-(3-fluorophenyl)acetamide
CID 2388931
N-(4-ethylphenyl)-N'-(3-fluorophenyl)propanediamide
CID 108954059
N'-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945493
2-methoxyethyl N-[3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]carbamate
CID 47077792
4-(3-fluoroanilino)-2-(3-methoxypropylamino)-4-oxobutanoic acid
CID 18886225
4-(3-fluoroanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205806
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819836

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluorophenyl)-N-(2-methoxyethyl)propanediamide?
The IUPAC name of N'-(3-fluorophenyl)-N-(2-methoxyethyl)propanediamide (CID 108943203) is N'-(3-fluorophenyl)-N-(2-methoxyethyl)propanediamide.
What is the SMILES notation for N'-(3-fluorophenyl)-N-(2-methoxyethyl)propanediamide?
The canonical SMILES for N'-(3-fluorophenyl)-N-(2-methoxyethyl)propanediamide is COCCNC(=O)CC(=O)Nc1cccc(F)c1.
What is the InChIKey of N'-(3-fluorophenyl)-N-(2-methoxyethyl)propanediamide?
The InChIKey is XHBAHIGETOXPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-18-6-5-14-11(16)8-12(17)15-10-4-2-3-9(13)7-10/h2-4,7H,5-6,8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N'-(3-fluorophenyl)-N-(2-methoxyethyl)propanediamide?
N'-(3-fluorophenyl)-N-(2-methoxyethyl)propanediamide has a molecular weight of 254.26 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluorophenyl)-N-(2-methoxyethyl)propanediamide is sourced from PubChem (CID 108943203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).