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

C19H18F4N2O2 — CID 108962615

IUPACN-[(4-fluorophenyl)methyl]-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
SMILESCC(C)(C(=O)NCc1ccc(F)cc1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H18F4N2O2/c1-18(2,16(26)24-11-12-7-9-13(20)10-8-12)17(27)25-15-6-4-3-5-14(15)19(21,22)23/h3-10H,11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyUAUMFJZHUCEGCC-UHFFFAOYSA-N
MW382.36 g/mol
LogP4.13
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide (PubChem CID 108962615) has the molecular formula C19H18F4N2O2 and a molecular weight of 382.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
PubChem CID108962615
Molecular FormulaC19H18F4N2O2
Molecular Weight382.36 g/mol
Exact Mass382.13
IUPAC NameN-[(4-fluorophenyl)methyl]-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
SMILESCC(C)(C(=O)NCc1ccc(F)cc1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H18F4N2O2/c1-18(2,16(26)24-11-12-7-9-13(20)10-8-12)17(27)25-15-6-4-3-5-14(15)19(21,22)23/h3-10H,11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyUAUMFJZHUCEGCC-UHFFFAOYSA-N
XLogP4.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 54.13
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-benzyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108961605
N-(2-cyanophenyl)-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962648
N-(2-tert-butylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962027
ethyl 2-[[3-[(4-fluorophenyl)methylamino]-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108962647
2-(4-fluorophenyl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113197454
N-[(2-chlorophenyl)methyl]-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962520
1-N-[(4-fluorophenyl)methyl]-1-N'-[2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108975874
N-[(4-chlorophenyl)methyl]-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108962819
2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 112798512
N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108968156
N-benzyl-N'-[2-chloro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanediamide
CID 108961616
N-[(4-chlorophenyl)methyl]-N'-(2-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108962843

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide (CID 108962615) is N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide is CC(C)(C(=O)NCc1ccc(F)cc1)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide?
The InChIKey is UAUMFJZHUCEGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N2O2/c1-18(2,16(26)24-11-12-7-9-13(20)10-8-12)17(27)25-15-6-4-3-5-14(15)19(21,22)23/h3-10H,11H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide?
N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide has a molecular weight of 382.36 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide is sourced from PubChem (CID 108962615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).