N-ethyl-N'-(3-fluorophenyl)propanediamide

C11H13FN2O2 — CID 67472700

IUPACN-ethyl-N'-(3-fluorophenyl)propanediamide
SMILESCCNC(=O)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C11H13FN2O2/c1-2-13-10(15)7-11(16)14-9-5-3-4-8(12)6-9/h3-6H,2,7H2,1H3,(H,13,15)(H,14,16)
InChIKeyBUPMVKPENNTUHA-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.29
Rot. Bonds4

About N-ethyl-N'-(3-fluorophenyl)propanediamide

N-ethyl-N'-(3-fluorophenyl)propanediamide (PubChem CID 67472700) has the molecular formula C11H13FN2O2 and a molecular weight of 224.24 g/mol. Its IUPAC name is N-ethyl-N'-(3-fluorophenyl)propanediamide.

Molecular Properties

Compound NameN-ethyl-N'-(3-fluorophenyl)propanediamide
PubChem CID67472700
Molecular FormulaC11H13FN2O2
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC NameN-ethyl-N'-(3-fluorophenyl)propanediamide
SMILESCCNC(=O)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C11H13FN2O2/c1-2-13-10(15)7-11(16)14-9-5-3-4-8(12)6-9/h3-6H,2,7H2,1H3,(H,13,15)(H,14,16)
InChIKeyBUPMVKPENNTUHA-UHFFFAOYSA-N
XLogP1.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-N'-(3-fluorophenyl)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-2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]acetamide
CID 43401714
N-(4-ethylphenyl)-N'-(3-fluorophenyl)propanediamide
CID 108954059
N'-(3-fluorophenyl)-N-(2-methoxyethyl)propanediamide
CID 108943203
N'-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945493
N'-(2-ethyl-6-methylphenyl)-N-(3-fluorophenyl)propanediamide
CID 108954227
2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 9223796
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 110965529
2-chloro-N-(3-fluorophenyl)acetamide
CID 2388931
N'-(4-bromo-3-methylphenyl)-N-(3-fluorophenyl)propanediamide
CID 108956592
4,4,4-trifluoro-N-(3-fluorophenyl)-3-oxobutanamide
CID 11391010
N'-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947561
2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111001379

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(3-fluorophenyl)propanediamide?
The IUPAC name of N-ethyl-N'-(3-fluorophenyl)propanediamide (CID 67472700) is N-ethyl-N'-(3-fluorophenyl)propanediamide.
What is the SMILES notation for N-ethyl-N'-(3-fluorophenyl)propanediamide?
The canonical SMILES for N-ethyl-N'-(3-fluorophenyl)propanediamide is CCNC(=O)CC(=O)Nc1cccc(F)c1.
What is the InChIKey of N-ethyl-N'-(3-fluorophenyl)propanediamide?
The InChIKey is BUPMVKPENNTUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-2-13-10(15)7-11(16)14-9-5-3-4-8(12)6-9/h3-6H,2,7H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-ethyl-N'-(3-fluorophenyl)propanediamide?
N-ethyl-N'-(3-fluorophenyl)propanediamide has a molecular weight of 224.24 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(3-fluorophenyl)propanediamide is sourced from PubChem (CID 67472700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).