(E)-3-(4-methylphenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide

C14H15F3N2O2 — CID 90244607

IUPAC(E)-3-(4-methylphenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCCNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C14H15F3N2O2/c1-10-2-4-11(5-3-10)6-7-12(20)18-8-9-19-13(21)14(15,16)17/h2-7H,8-9H2,1H3,(H,18,20)(H,19,21)/b7-6+
InChIKeyJRJWJXACTGCQSB-VOTSOKGWSA-N
MW300.28 g/mol
LogP1.80
Rot. Bonds5

About (E)-3-(4-methylphenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide

(E)-3-(4-methylphenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide (PubChem CID 90244607) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is (E)-3-(4-methylphenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methylphenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide
PubChem CID90244607
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name(E)-3-(4-methylphenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCCNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C14H15F3N2O2/c1-10-2-4-11(5-3-10)6-7-12(20)18-8-9-19-13(21)14(15,16)17/h2-7H,8-9H2,1H3,(H,18,20)(H,19,21)/b7-6+
InChIKeyJRJWJXACTGCQSB-VOTSOKGWSA-N
XLogP1.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 2180886
(E)-3-(4-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide
CID 108932622
(E)-3-(3-methylphenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]prop-2-enamide
CID 108934921
(E)-3-(3-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide
CID 108932618
3-(4-methylphenyl)-N-pentylprop-2-enamide
CID 3568321
(E)-3-(4-methylphenyl)-N-octylprop-2-enamide
CID 6042816
3-(4-methylphenyl)-N-octylprop-2-enamide
CID 4229517
tert-butyl N-[2-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethylamino]-2-oxoethyl]carbamate
CID 108916281
(E)-3-(4-methylphenyl)-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
CID 108934709
(E)-N-(4-methylpentyl)-3-(4-methylphenyl)prop-2-enamide
CID 55593221
N-(3-hydroxy-4-methylpentyl)-3-(4-methylphenyl)prop-2-enamide
CID 111460772
(E)-N-[2-(2-aminoethoxy)ethyl]-3-(4-methylphenyl)prop-2-enamide
CID 82354263

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methylphenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-methylphenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide (CID 90244607) is (E)-3-(4-methylphenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methylphenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-methylphenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide is Cc1ccc(/C=C/C(=O)NCCNC(=O)C(F)(F)F)cc1.
What is the InChIKey of (E)-3-(4-methylphenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide?
The InChIKey is JRJWJXACTGCQSB-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c1-10-2-4-11(5-3-10)6-7-12(20)18-8-9-19-13(21)14(15,16)17/h2-7H,8-9H2,1H3,(H,18,20)(H,19,21)/b7-6+.
What are the key properties of (E)-3-(4-methylphenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide?
(E)-3-(4-methylphenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide has a molecular weight of 300.28 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methylphenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide is sourced from PubChem (CID 90244607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).