N-(4-tert-butylphenyl)-N'-(2-fluorophenyl)propanediamide

C19H21FN2O2 — CID 108954690

IUPACN-(4-tert-butylphenyl)-N'-(2-fluorophenyl)propanediamide
SMILESCC(C)(C)c1ccc(NC(=O)CC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C19H21FN2O2/c1-19(2,3)13-8-10-14(11-9-13)21-17(23)12-18(24)22-16-7-5-4-6-15(16)20/h4-11H,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyJORITIKQABIPBD-UHFFFAOYSA-N
MW328.39 g/mol
LogP4.09
Rot. Bonds4

About N-(4-tert-butylphenyl)-N'-(2-fluorophenyl)propanediamide

N-(4-tert-butylphenyl)-N'-(2-fluorophenyl)propanediamide (PubChem CID 108954690) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N'-(2-fluorophenyl)propanediamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N'-(2-fluorophenyl)propanediamide
PubChem CID108954690
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC NameN-(4-tert-butylphenyl)-N'-(2-fluorophenyl)propanediamide
SMILESCC(C)(C)c1ccc(NC(=O)CC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C19H21FN2O2/c1-19(2,3)13-8-10-14(11-9-13)21-17(23)12-18(24)22-16-7-5-4-6-15(16)20/h4-11H,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyJORITIKQABIPBD-UHFFFAOYSA-N
XLogP4.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-tert-butylphenyl)-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-(4-tert-butylphenyl)-N'-(2-methylphenyl)propanediamide
CID 108952923
N'-(4-tert-butylphenyl)-N-phenylpropanediamide
CID 108952831
N-[4-(dimethylamino)phenyl]-N'-(2-fluorophenyl)propanediamide
CID 108954767
N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)propanediamide
CID 108954775
3-(4-acetamidoanilino)-N-(2-fluorophenyl)propanamide
CID 109037500
N'-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide
CID 108954773
N-(2-fluorophenyl)-2,2-dimethyl-N'-[4-(trifluoromethyl)phenyl]propanediamide
CID 108968722
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methylsulfanylphenyl)acetamide
CID 17482942
N-(4-tert-butylphenyl)-N'-quinolin-8-ylpropanediamide
CID 108954735
N-(4-fluorophenyl)-N'-(2-methylphenyl)propanediamide
CID 108952924
N'-(2-fluorophenyl)propanediamide
CID 70002209
N-(4-bromophenyl)-N'-(2-tert-butylphenyl)propanediamide
CID 108954637

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N'-(2-fluorophenyl)propanediamide?
The IUPAC name of N-(4-tert-butylphenyl)-N'-(2-fluorophenyl)propanediamide (CID 108954690) is N-(4-tert-butylphenyl)-N'-(2-fluorophenyl)propanediamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-N'-(2-fluorophenyl)propanediamide?
The canonical SMILES for N-(4-tert-butylphenyl)-N'-(2-fluorophenyl)propanediamide is CC(C)(C)c1ccc(NC(=O)CC(=O)Nc2ccccc2F)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N'-(2-fluorophenyl)propanediamide?
The InChIKey is JORITIKQABIPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-19(2,3)13-8-10-14(11-9-13)21-17(23)12-18(24)22-16-7-5-4-6-15(16)20/h4-11H,12H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-tert-butylphenyl)-N'-(2-fluorophenyl)propanediamide?
N-(4-tert-butylphenyl)-N'-(2-fluorophenyl)propanediamide has a molecular weight of 328.39 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N'-(2-fluorophenyl)propanediamide is sourced from PubChem (CID 108954690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).