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

C15H19F3N2O2 — CID 108957311

IUPAC2,2-dimethyl-N-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propanediamide
SMILESCC(C)NC(=O)C(C)(C)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O2/c1-9(2)19-12(21)14(3,4)13(22)20-11-7-5-6-10(8-11)15(16,17)18/h5-9H,1-4H3,(H,19,21)(H,20,22)
InChIKeyDOFRFDQKUITVQK-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.19
Rot. Bonds4

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

2,2-dimethyl-N-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propanediamide (PubChem CID 108957311) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propanediamide.

Molecular Properties

Compound Name2,2-dimethyl-N-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propanediamide
PubChem CID108957311
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name2,2-dimethyl-N-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propanediamide
SMILESCC(C)NC(=O)C(C)(C)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O2/c1-9(2)19-12(21)14(3,4)13(22)20-11-7-5-6-10(8-11)15(16,17)18/h5-9H,1-4H3,(H,19,21)(H,20,22)
InChIKeyDOFRFDQKUITVQK-UHFFFAOYSA-N
XLogP3.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.19
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

2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 71371552
N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108968157
N-(3-chloro-4-methylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108969164
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 10542294
2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 669889
6-N-propan-2-yl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093750
N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108960617
(2R)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid
CID 78972964
2-acetamido-N-[3-(trifluoromethyl)phenyl]propanamide
CID 78776683
3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833466
N-(2-ethoxyphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108969461
2-methyl-3-sulfanyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 167244697

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propanediamide?
The IUPAC name of 2,2-dimethyl-N-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propanediamide (CID 108957311) is 2,2-dimethyl-N-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propanediamide.
What is the SMILES notation for 2,2-dimethyl-N-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propanediamide?
The canonical SMILES for 2,2-dimethyl-N-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propanediamide is CC(C)NC(=O)C(C)(C)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2,2-dimethyl-N-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propanediamide?
The InChIKey is DOFRFDQKUITVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-9(2)19-12(21)14(3,4)13(22)20-11-7-5-6-10(8-11)15(16,17)18/h5-9H,1-4H3,(H,19,21)(H,20,22).
What are the key properties of 2,2-dimethyl-N-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propanediamide?
2,2-dimethyl-N-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propanediamide has a molecular weight of 316.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propanediamide is sourced from PubChem (CID 108957311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).