N-(4-fluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide

C19H21FN2O2 — CID 108962173

IUPACN-(4-fluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
SMILESCC(NC(=O)C(C)(C)C(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H21FN2O2/c1-13(14-7-5-4-6-8-14)21-17(23)19(2,3)18(24)22-16-11-9-15(20)10-12-16/h4-13H,1-3H3,(H,21,23)(H,22,24)
InChIKeySHYOBENNNLGLRE-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.67
Rot. Bonds5

About N-(4-fluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide

N-(4-fluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide (PubChem CID 108962173) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
PubChem CID108962173
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC NameN-(4-fluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
SMILESCC(NC(=O)C(C)(C)C(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H21FN2O2/c1-13(14-7-5-4-6-8-14)21-17(23)19(2,3)18(24)22-16-11-9-15(20)10-12-16/h4-13H,1-3H3,(H,21,23)(H,22,24)
InChIKeySHYOBENNNLGLRE-UHFFFAOYSA-N
XLogP3.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.67
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-(3,4-difluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
CID 108962236
2,2-dimethyl-N-(1-phenylethyl)-N'-propan-2-ylpropanediamide
CID 108957197
N-butan-2-yl-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
CID 108958261
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
CID 27868374
N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 9253364
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
N-(2,5-dimethylphenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
CID 108962157
2-bromo-2-methyl-N-(1-phenylethyl)propanamide
CID 82109308
4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54813381
2-amino-N-[1-(4-fluorophenyl)ethyl]-2-methylpropanamide
CID 61267029
N-(4-fluorophenyl)-2-phenylpropanamide
CID 2940269

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide?
The IUPAC name of N-(4-fluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide (CID 108962173) is N-(4-fluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide.
What is the SMILES notation for N-(4-fluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide?
The canonical SMILES for N-(4-fluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide is CC(NC(=O)C(C)(C)C(=O)Nc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-(4-fluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide?
The InChIKey is SHYOBENNNLGLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-13(14-7-5-4-6-8-14)21-17(23)19(2,3)18(24)22-16-11-9-15(20)10-12-16/h4-13H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-fluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide?
N-(4-fluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide has a molecular weight of 328.39 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide is sourced from PubChem (CID 108962173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).