N-(4-fluorophenyl)-N'-(2-propan-2-ylphenyl)propanediamide

C18H19FN2O2 — CID 108954266

IUPACN-(4-fluorophenyl)-N'-(2-propan-2-ylphenyl)propanediamide
SMILESCC(C)c1ccccc1NC(=O)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O2/c1-12(2)15-5-3-4-6-16(15)21-18(23)11-17(22)20-14-9-7-13(19)8-10-14/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyHBVSXGXNSXCCEL-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.92
Rot. Bonds5

About N-(4-fluorophenyl)-N'-(2-propan-2-ylphenyl)propanediamide

N-(4-fluorophenyl)-N'-(2-propan-2-ylphenyl)propanediamide (PubChem CID 108954266) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N'-(2-propan-2-ylphenyl)propanediamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N'-(2-propan-2-ylphenyl)propanediamide
PubChem CID108954266
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN-(4-fluorophenyl)-N'-(2-propan-2-ylphenyl)propanediamide
SMILESCC(C)c1ccccc1NC(=O)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O2/c1-12(2)15-5-3-4-6-16(15)21-18(23)11-17(22)20-14-9-7-13(19)8-10-14/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyHBVSXGXNSXCCEL-UHFFFAOYSA-N
XLogP3.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-N'-(2-methylphenyl)propanediamide
CID 108952924
N-(4-fluorophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108954811
2-(4-fluorophenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 7768669
ethyl 4-[[3-oxo-3-(2-propan-2-ylanilino)propanoyl]amino]benzoate
CID 108954315
N-(3-acetamidophenyl)-N'-(2-propan-2-ylphenyl)propanediamide
CID 108954290
N-(2-propan-2-ylphenyl)propanamide
CID 723442
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
N-(4-fluorophenyl)-N'-propan-2-ylpropanediamide
CID 108940880
1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide
CID 67992289
2-nitroso-N-(2-propan-2-ylphenyl)acetamide
CID 91475814
[(2S)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9252911
(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 9252915

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N'-(2-propan-2-ylphenyl)propanediamide?
The IUPAC name of N-(4-fluorophenyl)-N'-(2-propan-2-ylphenyl)propanediamide (CID 108954266) is N-(4-fluorophenyl)-N'-(2-propan-2-ylphenyl)propanediamide.
What is the SMILES notation for N-(4-fluorophenyl)-N'-(2-propan-2-ylphenyl)propanediamide?
The canonical SMILES for N-(4-fluorophenyl)-N'-(2-propan-2-ylphenyl)propanediamide is CC(C)c1ccccc1NC(=O)CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N'-(2-propan-2-ylphenyl)propanediamide?
The InChIKey is HBVSXGXNSXCCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-12(2)15-5-3-4-6-16(15)21-18(23)11-17(22)20-14-9-7-13(19)8-10-14/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-fluorophenyl)-N'-(2-propan-2-ylphenyl)propanediamide?
N-(4-fluorophenyl)-N'-(2-propan-2-ylphenyl)propanediamide has a molecular weight of 314.36 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N'-(2-propan-2-ylphenyl)propanediamide is sourced from PubChem (CID 108954266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).