N'-(4-fluorophenyl)propanediamide

C9H9FN2O2 — CID 18174009

IUPACN'-(4-fluorophenyl)propanediamide
SMILESNC(=O)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C9H9FN2O2/c10-6-1-3-7(4-2-6)12-9(14)5-8(11)13/h1-4H,5H2,(H2,11,13)(H,12,14)
InChIKeyLIVFRLRFEPXHJI-UHFFFAOYSA-N
MW196.18 g/mol
LogP0.64
Rot. Bonds3

About N'-(4-fluorophenyl)propanediamide

N'-(4-fluorophenyl)propanediamide (PubChem CID 18174009) has the molecular formula C9H9FN2O2 and a molecular weight of 196.18 g/mol. Its IUPAC name is N'-(4-fluorophenyl)propanediamide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)propanediamide
PubChem CID18174009
Molecular FormulaC9H9FN2O2
Molecular Weight196.18 g/mol
Exact Mass196.06
IUPAC NameN'-(4-fluorophenyl)propanediamide
SMILESNC(=O)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C9H9FN2O2/c10-6-1-3-7(4-2-6)12-9(14)5-8(11)13/h1-4H,5H2,(H2,11,13)(H,12,14)
InChIKeyLIVFRLRFEPXHJI-UHFFFAOYSA-N
XLogP0.64
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(4-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'-(4-bromophenyl)propanediamide
CID 15154636
2-chloro-N-(4-fluorophenyl)acetamide
CID 532065
N-(4-fluorophenyl)-3-hydroxypropanamide
CID 12748696
N-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954018
5-amino-N-(4-fluorophenyl)-3-methylidenepentanamide
CID 153370434
N'-[4-(trifluoromethoxy)phenyl]propanediamide
CID 140529911
N'-(3,5-dichlorophenyl)-N-(4-fluorophenyl)propanediamide
CID 108954855
N-(4-fluorophenyl)-N'-propan-2-ylpropanediamide
CID 108940880
2-chloroacetyl chloride;2-chloro-N-(4-fluorophenyl)acetamide
CID 161093004
2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanamide
CID 61219635
N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)propanediamide
CID 108954847
N'-(4-carbamimidoylphenyl)propanediamide
CID 142702544

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)propanediamide?
The IUPAC name of N'-(4-fluorophenyl)propanediamide (CID 18174009) is N'-(4-fluorophenyl)propanediamide.
What is the SMILES notation for N'-(4-fluorophenyl)propanediamide?
The canonical SMILES for N'-(4-fluorophenyl)propanediamide is NC(=O)CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorophenyl)propanediamide?
The InChIKey is LIVFRLRFEPXHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O2/c10-6-1-3-7(4-2-6)12-9(14)5-8(11)13/h1-4H,5H2,(H2,11,13)(H,12,14).
What are the key properties of N'-(4-fluorophenyl)propanediamide?
N'-(4-fluorophenyl)propanediamide has a molecular weight of 196.18 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)propanediamide is sourced from PubChem (CID 18174009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).