N-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide

C16H12FN3O2 — CID 108954791

IUPACN-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide
SMILESN#Cc1ccccc1NC(=O)CC(=O)Nc1ccccc1F
InChIInChI=1S/C16H12FN3O2/c17-12-6-2-4-8-14(12)20-16(22)9-15(21)19-13-7-3-1-5-11(13)10-18/h1-8H,9H2,(H,19,21)(H,20,22)
InChIKeySEWYKYBPJGZXJP-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.66
Rot. Bonds4

About N-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide

N-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide (PubChem CID 108954791) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is N-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide
PubChem CID108954791
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC NameN-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide
SMILESN#Cc1ccccc1NC(=O)CC(=O)Nc1ccccc1F
InChIInChI=1S/C16H12FN3O2/c17-12-6-2-4-8-14(12)20-16(22)9-15(21)19-13-7-3-1-5-11(13)10-18/h1-8H,9H2,(H,19,21)(H,20,22)
InChIKeySEWYKYBPJGZXJP-UHFFFAOYSA-N
XLogP2.66
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-cyanophenyl)-N'-(2-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-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
N-(2-cyanophenyl)-2-(2,3,4-trifluoroanilino)acetamide
CID 30716981
N-(2-cyanophenyl)-4-(2-fluorophenoxy)butanamide
CID 43824295
N-(2-cyanophenyl)-N'-(2,6-diethylphenyl)propanediamide
CID 108954547
N-(2-cyanophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086016
2-(N-acetyl-2,6-difluoroanilino)-N-(2-cyanophenyl)acetamide
CID 113181547
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085
N-(2-cyanophenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955712
2-(3-cyano-4-fluoroanilino)-N-(2-fluorophenyl)acetamide
CID 62317346
N-(2-cyanophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109011065
N-(2-cyanophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80740419
N'-(2-fluorophenyl)propanediamide
CID 70002209

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide?
The IUPAC name of N-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide (CID 108954791) is N-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide.
What is the SMILES notation for N-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide?
The canonical SMILES for N-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide is N#Cc1ccccc1NC(=O)CC(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide?
The InChIKey is SEWYKYBPJGZXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c17-12-6-2-4-8-14(12)20-16(22)9-15(21)19-13-7-3-1-5-11(13)10-18/h1-8H,9H2,(H,19,21)(H,20,22).
What are the key properties of N-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide?
N-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide has a molecular weight of 297.29 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide is sourced from PubChem (CID 108954791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).