N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide

C20H21F3N2O2 — CID 108968156

IUPACN-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
SMILESCc1cccc(NC(=O)C(C)(C)C(=O)Nc2ccccc2C(F)(F)F)c1C
InChIInChI=1S/C20H21F3N2O2/c1-12-8-7-11-15(13(12)2)24-17(26)19(3,4)18(27)25-16-10-6-5-9-14(16)20(21,22)23/h5-11H,1-4H3,(H,24,26)(H,25,27)
InChIKeySHFRYFIVSQWKAP-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.93
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide

N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide (PubChem CID 108968156) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
PubChem CID108968156
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC NameN-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
SMILESCc1cccc(NC(=O)C(C)(C)C(=O)Nc2ccccc2C(F)(F)F)c1C
InChIInChI=1S/C20H21F3N2O2/c1-12-8-7-11-15(13(12)2)24-17(26)19(3,4)18(27)25-16-10-6-5-9-14(16)20(21,22)23/h5-11H,1-4H3,(H,24,26)(H,25,27)
InChIKeySHFRYFIVSQWKAP-UHFFFAOYSA-N
XLogP4.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.93
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

1-N-(2,3-dimethylphenyl)-2-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109141940
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9288015
3-(2,3-dimethylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109036048
N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108968157
N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-propylpropanediamide
CID 108957073
N-benzyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108961605
N-(2-tert-butylphenyl)-N'-(2,3-dimethylphenyl)oxamide
CID 108515358
2-methyl-2-(methylamino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 62834657
N-cycloheptyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108966127
N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108962615
N-(4-cyanophenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108969688
N'-(2,6-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]propanediamide
CID 108953788

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide (CID 108968156) is N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide is Cc1cccc(NC(=O)C(C)(C)C(=O)Nc2ccccc2C(F)(F)F)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide?
The InChIKey is SHFRYFIVSQWKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-12-8-7-11-15(13(12)2)24-17(26)19(3,4)18(27)25-16-10-6-5-9-14(16)20(21,22)23/h5-11H,1-4H3,(H,24,26)(H,25,27).
What are the key properties of N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide?
N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide has a molecular weight of 378.39 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide is sourced from PubChem (CID 108968156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).