N'-(2-fluorophenyl)-2,2-dimethyl-N-phenylpropanediamide

C17H17FN2O2 — CID 108967144

IUPACN'-(2-fluorophenyl)-2,2-dimethyl-N-phenylpropanediamide
SMILESCC(C)(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C17H17FN2O2/c1-17(2,15(21)19-12-8-4-3-5-9-12)16(22)20-14-11-7-6-10-13(14)18/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyDWTXCNHAGXUKTR-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.43
Rot. Bonds4

About N'-(2-fluorophenyl)-2,2-dimethyl-N-phenylpropanediamide

N'-(2-fluorophenyl)-2,2-dimethyl-N-phenylpropanediamide (PubChem CID 108967144) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-2,2-dimethyl-N-phenylpropanediamide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)-2,2-dimethyl-N-phenylpropanediamide
PubChem CID108967144
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC NameN'-(2-fluorophenyl)-2,2-dimethyl-N-phenylpropanediamide
SMILESCC(C)(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C17H17FN2O2/c1-17(2,15(21)19-12-8-4-3-5-9-12)16(22)20-14-11-7-6-10-13(14)18/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyDWTXCNHAGXUKTR-UHFFFAOYSA-N
XLogP3.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.43
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-(2-fluorophenyl)-2,2-dimethyl-N'-[4-(trifluoromethyl)phenyl]propanediamide
CID 108968722
N-(2-fluorophenyl)-2,2-dimethyl-N'-propylpropanediamide
CID 108957085
N'-hydroxy-2,2-dimethyl-N-phenylpropanediamide
CID 90850690
N-(2-bromo-4-methylphenyl)-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide
CID 108968743
N-(2,4-difluorophenyl)-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
CID 108968827
N'-(4-bromophenyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108967157
N-[2-(4-chlorophenyl)ethyl]-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide
CID 108965063
N'-(3-chloro-4-fluorophenyl)-N-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968856
N-(2-tert-butylphenyl)-N'-(3,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108968655
2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2-fluorophenyl)hexanediamide
CID 4123319
N-[4-[[1-(2-fluoroanilino)-1-oxopropan-2-yl]amino]phenyl]-2,2-dimethylpropanamide
CID 18280724
N-(4-chlorophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108969011

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)-2,2-dimethyl-N-phenylpropanediamide?
The IUPAC name of N'-(2-fluorophenyl)-2,2-dimethyl-N-phenylpropanediamide (CID 108967144) is N'-(2-fluorophenyl)-2,2-dimethyl-N-phenylpropanediamide.
What is the SMILES notation for N'-(2-fluorophenyl)-2,2-dimethyl-N-phenylpropanediamide?
The canonical SMILES for N'-(2-fluorophenyl)-2,2-dimethyl-N-phenylpropanediamide is CC(C)(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1F.
What is the InChIKey of N'-(2-fluorophenyl)-2,2-dimethyl-N-phenylpropanediamide?
The InChIKey is DWTXCNHAGXUKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-17(2,15(21)19-12-8-4-3-5-9-12)16(22)20-14-11-7-6-10-13(14)18/h3-11H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(2-fluorophenyl)-2,2-dimethyl-N-phenylpropanediamide?
N'-(2-fluorophenyl)-2,2-dimethyl-N-phenylpropanediamide has a molecular weight of 300.33 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)-2,2-dimethyl-N-phenylpropanediamide is sourced from PubChem (CID 108967144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).