2-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide

C12H11F3N2O2 — CID 108933208

IUPAC2-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C12H11F3N2O2/c1-7(2)10(18)16-8-3-5-9(6-4-8)17-11(19)12(13,14)15/h3-6H,1H2,2H3,(H,16,18)(H,17,19)
InChIKeyWCGKQLJRHAKQIQ-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.70
Rot. Bonds3

About 2-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide

2-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide (PubChem CID 108933208) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is 2-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide
PubChem CID108933208
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name2-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C12H11F3N2O2/c1-7(2)10(18)16-8-3-5-9(6-4-8)17-11(19)12(13,14)15/h3-6H,1H2,2H3,(H,16,18)(H,17,19)
InChIKeyWCGKQLJRHAKQIQ-UHFFFAOYSA-N
XLogP2.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
2-methyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide
CID 108933949
2-methyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
CID 108933950
[4-[(2,2,2-trifluoroacetyl)amino]phenyl]carbamic acid
CID 18543052
4-[(2,2,2-trifluoroacetyl)amino]phenolate
CID 171407160
N-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide
CID 102428329
[4-(2-methylprop-2-enoylamino)phenoxy]boronic acid
CID 139688693
2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 3688505
N-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroacetamide
CID 130770723
N-[4-[[3,5-bis[bis[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-2-methylprop-2-enamide
CID 172831017
tris[4-(2-methylprop-2-enoylamino)phenyl] stiborite
CID 172860369
2,2,2-trifluoro-N-pyridin-4-ylacetamide
CID 4095205

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide (CID 108933208) is 2-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide is C=C(C)C(=O)Nc1ccc(NC(=O)C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide?
The InChIKey is WCGKQLJRHAKQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c1-7(2)10(18)16-8-3-5-9(6-4-8)17-11(19)12(13,14)15/h3-6H,1H2,2H3,(H,16,18)(H,17,19).
What are the key properties of 2-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide?
2-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide has a molecular weight of 272.23 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide is sourced from PubChem (CID 108933208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).