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

C19H19F3N2O2 — CID 108961605

IUPACN-benzyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
SMILESCC(C)(C(=O)NCc1ccccc1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H19F3N2O2/c1-18(2,16(25)23-12-13-8-4-3-5-9-13)17(26)24-15-11-7-6-10-14(15)19(20,21)22/h3-11H,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyQBJBIIKGAFSHEE-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.99
Rot. Bonds5

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

N-benzyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide (PubChem CID 108961605) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is N-benzyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide.

Molecular Properties

Compound NameN-benzyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
PubChem CID108961605
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC NameN-benzyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
SMILESCC(C)(C(=O)NCc1ccccc1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H19F3N2O2/c1-18(2,16(25)23-12-13-8-4-3-5-9-13)17(26)24-15-11-7-6-10-14(15)19(20,21)22/h3-11H,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyQBJBIIKGAFSHEE-UHFFFAOYSA-N
XLogP3.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.99
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-[(4-fluorophenyl)methyl]-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108962615
N-(2-tert-butylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962027
N-benzyl-N'-[2-chloro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanediamide
CID 108961616
N-benzyl-N-ethyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108963299
N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108968156
N-[(4-chlorophenyl)methyl]-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108962819
N-benzyl-N'-tert-butyl-2,2-dimethylpropanediamide
CID 108961541
2-methyl-2-(methylamino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 62834657
2-N-benzyl-1-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109135080
1-N-benzyl-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109054164
N-benzyl-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108961574
N-(4-cyanophenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108969688

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide?
The IUPAC name of N-benzyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide (CID 108961605) is N-benzyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide.
What is the SMILES notation for N-benzyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide?
The canonical SMILES for N-benzyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide is CC(C)(C(=O)NCc1ccccc1)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-benzyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide?
The InChIKey is QBJBIIKGAFSHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-18(2,16(25)23-12-13-8-4-3-5-9-13)17(26)24-15-11-7-6-10-14(15)19(20,21)22/h3-11H,12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-benzyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide?
N-benzyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide has a molecular weight of 364.37 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide is sourced from PubChem (CID 108961605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).