N-(2-fluorophenyl)-2,2-dimethyl-N'-[4-(trifluoromethyl)phenyl]propanediamide

C18H16F4N2O2 — CID 108968722

IUPACN-(2-fluorophenyl)-2,2-dimethyl-N'-[4-(trifluoromethyl)phenyl]propanediamide
SMILESCC(C)(C(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C18H16F4N2O2/c1-17(2,16(26)24-14-6-4-3-5-13(14)19)15(25)23-12-9-7-11(8-10-12)18(20,21)22/h3-10H,1-2H3,(H,23,25)(H,24,26)
InChIKeyYFHDERGLOHSTED-UHFFFAOYSA-N
MW368.33 g/mol
LogP4.45
Rot. Bonds4

About N-(2-fluorophenyl)-2,2-dimethyl-N'-[4-(trifluoromethyl)phenyl]propanediamide

N-(2-fluorophenyl)-2,2-dimethyl-N'-[4-(trifluoromethyl)phenyl]propanediamide (PubChem CID 108968722) has the molecular formula C18H16F4N2O2 and a molecular weight of 368.33 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2,2-dimethyl-N'-[4-(trifluoromethyl)phenyl]propanediamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2,2-dimethyl-N'-[4-(trifluoromethyl)phenyl]propanediamide
PubChem CID108968722
Molecular FormulaC18H16F4N2O2
Molecular Weight368.33 g/mol
Exact Mass368.11
IUPAC NameN-(2-fluorophenyl)-2,2-dimethyl-N'-[4-(trifluoromethyl)phenyl]propanediamide
SMILESCC(C)(C(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C18H16F4N2O2/c1-17(2,16(26)24-14-6-4-3-5-13(14)19)15(25)23-12-9-7-11(8-10-12)18(20,21)22/h3-10H,1-2H3,(H,23,25)(H,24,26)
InChIKeyYFHDERGLOHSTED-UHFFFAOYSA-N
XLogP4.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 54.45
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-phenylpropanediamide
CID 108967144
N-(4-tert-butylphenyl)-N'-(2-fluorophenyl)propanediamide
CID 108954690
N-(4-tert-butylphenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108968690
N-(2-fluorophenyl)-2,2-dimethyl-N'-propylpropanediamide
CID 108957085
N-(2,4-difluorophenyl)-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
CID 108968827
N-(2-bromo-4-methylphenyl)-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide
CID 108968743
N-(4-tert-butylphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108968687
2-methoxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 18709942
N-(4-cyanophenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108969688
2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2-fluorophenyl)hexanediamide
CID 4123319
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

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2,2-dimethyl-N'-[4-(trifluoromethyl)phenyl]propanediamide?
The IUPAC name of N-(2-fluorophenyl)-2,2-dimethyl-N'-[4-(trifluoromethyl)phenyl]propanediamide (CID 108968722) is N-(2-fluorophenyl)-2,2-dimethyl-N'-[4-(trifluoromethyl)phenyl]propanediamide.
What is the SMILES notation for N-(2-fluorophenyl)-2,2-dimethyl-N'-[4-(trifluoromethyl)phenyl]propanediamide?
The canonical SMILES for N-(2-fluorophenyl)-2,2-dimethyl-N'-[4-(trifluoromethyl)phenyl]propanediamide is CC(C)(C(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2,2-dimethyl-N'-[4-(trifluoromethyl)phenyl]propanediamide?
The InChIKey is YFHDERGLOHSTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O2/c1-17(2,16(26)24-14-6-4-3-5-13(14)19)15(25)23-12-9-7-11(8-10-12)18(20,21)22/h3-10H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(2-fluorophenyl)-2,2-dimethyl-N'-[4-(trifluoromethyl)phenyl]propanediamide?
N-(2-fluorophenyl)-2,2-dimethyl-N'-[4-(trifluoromethyl)phenyl]propanediamide has a molecular weight of 368.33 g/mol, XLogP of 4.45, 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'-[4-(trifluoromethyl)phenyl]propanediamide is sourced from PubChem (CID 108968722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).