(E)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

C12H12F3NO — CID 6435518

IUPAC(E)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCNC(=O)/C(C)=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3NO/c1-8(11(17)16-2)6-9-4-3-5-10(7-9)12(13,14)15/h3-7H,1-2H3,(H,16,17)/b8-6+
InChIKeyQVZSYACQIDPBSG-SOFGYWHQSA-N
MW243.23 g/mol
LogP2.85
Rot. Bonds2

About (E)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

(E)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 6435518) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is (E)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID6435518
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name(E)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCNC(=O)/C(C)=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3NO/c1-8(11(17)16-2)6-9-4-3-5-10(7-9)12(13,14)15/h3-7H,1-2H3,(H,16,17)/b8-6+
InChIKeyQVZSYACQIDPBSG-SOFGYWHQSA-N
XLogP2.85
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 ≤ 52.85
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

Cinnamamide, N-methyl-m-(trifluoromethyl)-
CID 1527154
n-Methylcinnamamide
CID 6039989
Cinnamamide, N-allyl-alpha-methyl-
CID 6435635
N-Methyl-3-(trifluoromethyl)benzamide
CID 1490147
3-(Trifluoromethyl)cinnamide
CID 875015
Cinnamamide, N-cyclopropyl-m-(trifluoromethyl)-, (E)-
CID 6434872
1-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-2,3-dihydropyridin-6-one
CID 60188103
Cinnamamide, N-allyl-alpha,beta-dimethyl-4-fluoro-, (E)-
CID 3033176
Cinnamamide, N-allyl-alpha,beta-dimethyl-4-fluoro-, (Z)-
CID 3033189
Cinnamamide, alpha,beta-dimethyl-m-trifluoromethyl-, (E)-
CID 3033648
Cinnamamide, N-cyclopropyl-alpha,beta-dimethyl-m-trifluoromethyl-, (E)-
CID 3033649
Cinnamamide, N-allyl-alpha,beta-dimethyl-m-trifluoromethyl-, (E)-
CID 3033650

Frequently Asked Questions

What is the IUPAC name of (E)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (CID 6435518) is (E)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is CNC(=O)/C(C)=C/c1cccc(C(F)(F)F)c1.
What is the InChIKey of (E)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is QVZSYACQIDPBSG-SOFGYWHQSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-8(11(17)16-2)6-9-4-3-5-10(7-9)12(13,14)15/h3-7H,1-2H3,(H,16,17)/b8-6+.
What are the key properties of (E)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 243.23 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 6435518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).