2-cyano-2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide

C14H15F3N2O — CID 114291644

IUPAC2-cyano-2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide
SMILESCCC(C)(C#N)C(=O)Nc1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C14H15F3N2O/c1-4-13(3,8-18)12(20)19-11-7-10(14(15,16)17)6-5-9(11)2/h5-7H,4H2,1-3H3,(H,19,20)
InChIKeyUTSKDLQZFSRAAH-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.89
Rot. Bonds3

About 2-cyano-2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide

2-cyano-2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide (PubChem CID 114291644) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide
PubChem CID114291644
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name2-cyano-2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide
SMILESCCC(C)(C#N)C(=O)Nc1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C14H15F3N2O/c1-4-13(3,8-18)12(20)19-11-7-10(14(15,16)17)6-5-9(11)2/h5-7H,4H2,1-3H3,(H,19,20)
InChIKeyUTSKDLQZFSRAAH-UHFFFAOYSA-N
XLogP3.89
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide
CID 66475481
2-cyano-N-(2,6-difluoro-3-methylphenyl)-2-methylbutanamide
CID 82818028
2-cyano-N-(2,4-difluorophenyl)-2-methylbutanamide
CID 113270152
2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 143016974
N-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyano-2-methylbutanamide
CID 116699929
N-(3-bromo-4-methylphenyl)-2-cyano-2-methylbutanamide
CID 114291509
4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66480354
2-cyano-N-(2,5-dibromophenyl)-2-methylbutanamide
CID 114291248
1-butyl-3-[2-methyl-5-(trifluoromethyl)phenyl]urea
CID 115670789
N-(2-ethyl-2-hydroxybutyl)-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide
CID 111566922
N-ethyl-2-methyl-5-(trifluoromethyl)aniline
CID 66480929
2-amino-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide
CID 79814613

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 2-cyano-2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide (CID 114291644) is 2-cyano-2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 2-cyano-2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide is CCC(C)(C#N)C(=O)Nc1cc(C(F)(F)F)ccc1C.
What is the InChIKey of 2-cyano-2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide?
The InChIKey is UTSKDLQZFSRAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-4-13(3,8-18)12(20)19-11-7-10(14(15,16)17)6-5-9(11)2/h5-7H,4H2,1-3H3,(H,19,20).
What are the key properties of 2-cyano-2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide?
2-cyano-2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide has a molecular weight of 284.28 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 114291644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).