2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]prop-2-enamide

C12H12F3NO — CID 143016974

IUPAC2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]prop-2-enamide
SMILESC=C(C)C(=O)Nc1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C12H12F3NO/c1-7(2)11(17)16-10-6-9(12(13,14)15)5-4-8(10)3/h4-6H,1H2,2-3H3,(H,16,17)
InChIKeyQUPTXFSRGJFESZ-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.53
Rot. Bonds2

About 2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]prop-2-enamide

2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 143016974) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID143016974
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]prop-2-enamide
SMILESC=C(C)C(=O)Nc1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C12H12F3NO/c1-7(2)11(17)16-10-6-9(12(13,14)15)5-4-8(10)3/h4-6H,1H2,2-3H3,(H,16,17)
InChIKeyQUPTXFSRGJFESZ-UHFFFAOYSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide
CID 66475481
4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66480354
N'-(1-hydroxybutan-2-yl)-N-[2-methyl-5-(trifluoromethyl)phenyl]oxamide
CID 111566618
N-(2-ethyl-2-hydroxybutyl)-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide
CID 111566922
2-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)aniline
CID 66481146
4-hydroxy-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide
CID 79192569
3-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119280151
2-cyano-2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide
CID 114291644
1-butyl-3-[2-methyl-5-(trifluoromethyl)phenyl]urea
CID 115670789
N-[2-methyl-5-(trifluoromethyl)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107031876
N-[2-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112696057
N-[(2-hydroxycyclopentyl)methyl]-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide
CID 111566950

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]prop-2-enamide (CID 143016974) is 2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]prop-2-enamide is C=C(C)C(=O)Nc1cc(C(F)(F)F)ccc1C.
What is the InChIKey of 2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is QUPTXFSRGJFESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-7(2)11(17)16-10-6-9(12(13,14)15)5-4-8(10)3/h4-6H,1H2,2-3H3,(H,16,17).
What are the key properties of 2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]prop-2-enamide?
2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 243.23 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 143016974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).