2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide

C13H16F3NO — CID 669889

IUPAC2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESCCC(C)(C)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO/c1-4-12(2,3)11(18)17-10-7-5-6-9(8-10)13(14,15)16/h5-8H,4H2,1-3H3,(H,17,18)
InChIKeyHCGMKMWFYOXWAI-UHFFFAOYSA-N
MW259.27 g/mol
LogP4.08
Rot. Bonds3

About 2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide

2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide (PubChem CID 669889) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide
PubChem CID669889
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESCCC(C)(C)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO/c1-4-12(2,3)11(18)17-10-7-5-6-9(8-10)13(14,15)16/h5-8H,4H2,1-3H3,(H,17,18)
InChIKeyHCGMKMWFYOXWAI-UHFFFAOYSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 71371552
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 10542294
2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 669985
N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2251553
2,2-dimethyl-N-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108957311
N-(3-chloro-4-methylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108969164
4,4,4-trifluoro-2-methyl-2-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 102499454
2-(4-chlorophenoxy)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 982295
N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501438
N-[3-(trifluoromethyl)phenyl]hexanamide
CID 4609508
2,2-dimethyl-N-[3-[(2-phenylacetyl)amino]phenyl]butanamide
CID 160938577
2-ethyl-3-[3-(trifluoromethyl)anilino]but-2-enoic acid
CID 69353363

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide (CID 669889) is 2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide is CCC(C)(C)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is HCGMKMWFYOXWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-4-12(2,3)11(18)17-10-7-5-6-9(8-10)13(14,15)16/h5-8H,4H2,1-3H3,(H,17,18).
What are the key properties of 2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide?
2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide has a molecular weight of 259.27 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 669889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).