(E)-N-ethyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

C19H18F3NO — CID 5353234

IUPAC(E)-N-ethyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCCN(C(=O)/C=C/c1cccc(C(F)(F)F)c1)c1cccc(C)c1
InChIInChI=1S/C19H18F3NO/c1-3-23(17-9-4-6-14(2)12-17)18(24)11-10-15-7-5-8-16(13-15)19(20,21)22/h4-13H,3H2,1-2H3/b11-10+
InChIKeyYASSUSJXRYJNOU-ZHACJKMWSA-N
MW333.35 g/mol
LogP5.08
Rot. Bonds4

About (E)-N-ethyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

(E)-N-ethyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 5353234) has the molecular formula C19H18F3NO and a molecular weight of 333.35 g/mol. Its IUPAC name is (E)-N-ethyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID5353234
Molecular FormulaC19H18F3NO
Molecular Weight333.35 g/mol
Exact Mass333.13
IUPAC Name(E)-N-ethyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCCN(C(=O)/C=C/c1cccc(C(F)(F)F)c1)c1cccc(C)c1
InChIInChI=1S/C19H18F3NO/c1-3-23(17-9-4-6-14(2)12-17)18(24)11-10-15-7-5-8-16(13-15)19(20,21)22/h4-13H,3H2,1-2H3/b11-10+
InChIKeyYASSUSJXRYJNOU-ZHACJKMWSA-N
XLogP5.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.35
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-ethyl-3-(4-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide
CID 84552695
(Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one
CID 23274083
(E)-3-[3-(trifluoromethyl)phenyl]-N,N-di(undecyl)prop-2-enamide
CID 5353243
(E)-N-decyl-N-methyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 5353236
ethyl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate
CID 66804011
ethyl 3-oxo-5-[3-(trifluoromethyl)phenyl]pent-4-enoate
CID 159565178
N-ethyl-3-(4-methylphenyl)-N-phenylprop-2-enamide
CID 917661
(E)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 34169666
(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl chloride
CID 5375564
(1E,4E)-1-(dimethylamino)-5-[3-(trifluoromethyl)phenyl]penta-1,4-dien-3-one
CID 1479406
methyl (Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 5314584
(E)-3-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)-N-propylprop-2-enamide
CID 17321061

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-ethyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (CID 5353234) is (E)-N-ethyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-ethyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-ethyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is CCN(C(=O)/C=C/c1cccc(C(F)(F)F)c1)c1cccc(C)c1.
What is the InChIKey of (E)-N-ethyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is YASSUSJXRYJNOU-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H18F3NO/c1-3-23(17-9-4-6-14(2)12-17)18(24)11-10-15-7-5-8-16(13-15)19(20,21)22/h4-13H,3H2,1-2H3/b11-10+.
What are the key properties of (E)-N-ethyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-ethyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 333.35 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 5353234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).