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

C18H17F3N2O2 — CID 108945471

IUPACN-[(2-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide
SMILESCc1ccccc1CNC(=O)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H17F3N2O2/c1-12-6-2-3-7-13(12)11-22-16(24)10-17(25)23-15-9-5-4-8-14(15)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyHGMWHFXBZDGHSU-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.66
Rot. Bonds5

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

N-[(2-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide (PubChem CID 108945471) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide
PubChem CID108945471
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC NameN-[(2-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide
SMILESCc1ccccc1CNC(=O)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H17F3N2O2/c1-12-6-2-3-7-13(12)11-22-16(24)10-17(25)23-15-9-5-4-8-14(15)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyHGMWHFXBZDGHSU-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-[(2-methylphenyl)methyl]propanediamide
CID 108945445
N'-(2,6-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]propanediamide
CID 108953788
methyl 2-[[3-[(2-methylphenyl)methylamino]-3-oxopropanoyl]amino]benzoate
CID 108945478
N-[(3-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108945642
2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 2236832
N'-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945452
N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108956034
N-pentyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108951939
N'-(4-tert-butylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945444
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17168115
2-[(2-methylphenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109255765
N'-(2-ethyl-6-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945437

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide (CID 108945471) is N-[(2-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide is Cc1ccccc1CNC(=O)CC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-[(2-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide?
The InChIKey is HGMWHFXBZDGHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-12-6-2-3-7-13(12)11-22-16(24)10-17(25)23-15-9-5-4-8-14(15)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[(2-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide?
N-[(2-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-[(2-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide is sourced from PubChem (CID 108945471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).