N-[(3-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide

C18H17F3N2O2 — CID 108945642

IUPACN-[(3-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide
SMILESCc1cccc(CNC(=O)CC(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O2/c1-12-5-4-6-13(9-12)11-22-16(24)10-17(25)23-15-8-3-2-7-14(15)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyVFNZHIJHXGETIY-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.66
Rot. Bonds5

About N-[(3-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide

N-[(3-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide (PubChem CID 108945642) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide
PubChem CID108945642
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC NameN-[(3-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide
SMILESCc1cccc(CNC(=O)CC(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O2/c1-12-5-4-6-13(9-12)11-22-16(24)10-17(25)23-15-8-3-2-7-14(15)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyVFNZHIJHXGETIY-UHFFFAOYSA-N
XLogP3.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.66
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)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945616
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(3-methylphenyl)methyl]propanediamide
CID 108945653
N-[(2-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108945471
N'-(2-bromo-4-methylphenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945667
2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9293170
N'-(2,6-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]propanediamide
CID 108953788
N'-(3,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945602
N-[(3-methylphenyl)methyl]-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109347229
2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767
2-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 38240797
N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108956034
N-pentyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108951939

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide (CID 108945642) is N-[(3-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide is Cc1cccc(CNC(=O)CC(=O)Nc2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide?
The InChIKey is VFNZHIJHXGETIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-12-5-4-6-13(9-12)11-22-16(24)10-17(25)23-15-8-3-2-7-14(15)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[(3-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide?
N-[(3-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide has a molecular weight of 350.34 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide is sourced from PubChem (CID 108945642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).